-
1
-
-
84964602086
-
The practice of medicinal chemistry and its contributions to therapy
-
Meanwell, N. A., Olson, R. E., and Cheng, P. T. (2015) The practice of medicinal chemistry and its contributions to therapy 2015 Med. Chem. Rev. 50, 359-393
-
(2015)
2015 Med. Chem. Rev.
, vol.50
, pp. 359-393
-
-
Meanwell, N.A.1
Olson, R.E.2
Cheng, P.T.3
-
2
-
-
4344673155
-
Sources of U.S. longevity increase, 1960-2001
-
Lichtenberg, F. R. (2004) Sources of U.S. longevity increase, 1960-2001 Quart. Rev. Economics Finance 44, 369-389 10.1016/j.qref.2004.05.005
-
(2004)
Quart. Rev. Economics Finance
, vol.44
, pp. 369-389
-
-
Lichtenberg, F.R.1
-
3
-
-
0346620161
-
The effect of new drug approvals on HIV mortality in the US, 1987-1998
-
Lichtenberg, F. R. (2003) The effect of new drug approvals on HIV mortality in the US, 1987-1998 Economics Human Biol. 1, 259-266 10.1016/S1570-677X(02)00031-X
-
(2003)
Economics Human Biol.
, vol.1
, pp. 259-266
-
-
Lichtenberg, F.R.1
-
4
-
-
61449189645
-
Anti-HIV drugs: 25 Compounds approved within 25 years after the discovery of HIV
-
De Clercq, E. (2009) Anti-HIV drugs: 25 compounds approved within 25 years after the discovery of HIV Int. J. Antimicrob. Agents 33, 307-320 10.1016/j.ijantimicag.2008.10.010
-
(2009)
Int. J. Antimicrob. Agents
, vol.33
, pp. 307-320
-
-
De Clercq, E.1
-
5
-
-
77249134151
-
Twenty-six years of anti-HIV drug discovery: Where do we stand and where do we go?
-
Mehellou, Y. and De Clercq, E. (2010) Twenty-six years of anti-HIV drug discovery: where do we stand and where do we go? J. Med. Chem. 53, 521-538 10.1021/jm900492g
-
(2010)
J. Med. Chem.
, vol.53
, pp. 521-538
-
-
Mehellou, Y.1
De Clercq, E.2
-
6
-
-
73549103358
-
The development of antiretroviral therapy and its impact on the HIV-1/AIDS pandemic
-
Broder, S. (2010) The development of antiretroviral therapy and its impact on the HIV-1/AIDS pandemic Antiviral Res. 85, 1-18 10.1016/j.antiviral.2009.10.002
-
(2010)
Antiviral Res.
, vol.85
, pp. 1-18
-
-
Broder, S.1
-
7
-
-
84898990930
-
New hepatitis C therapies: The toolbox, strategies, and challenges
-
Pawlotsky, J.-M. (2014) New hepatitis C therapies: the toolbox, strategies, and challenges Gastroenterology 146, 1176-1192 10.1053/j.gastro.2014.03.003
-
(2014)
Gastroenterology
, vol.146
, pp. 1176-1192
-
-
Pawlotsky, J.-M.1
-
8
-
-
84934823081
-
From non-A, non-B hepatitis to hepatitis C virus cure
-
Pawlotsky, J.-M., Feld, J. J., Zeuzem, S., and Hoofnagle, J. H. (2015) From non-A, non-B hepatitis to hepatitis C virus cure J. Hepatol. 62, S87-S99 10.1016/j.jhep.2015.02.006
-
(2015)
J. Hepatol.
, vol.62
, pp. S87-S99
-
-
Pawlotsky, J.-M.1
Feld, J.J.2
Zeuzem, S.3
Hoofnagle, J.H.4
-
9
-
-
4344645978
-
Can the pharmaceutical industry reduce attrition rates?
-
Kola, I. and Landis, J. (2004) Can the pharmaceutical industry reduce attrition rates? Nat. Rev. Drug Discovery 3, 711-716 10.1038/nrd1470
-
(2004)
Nat. Rev. Drug Discovery
, vol.3
, pp. 711-716
-
-
Kola, I.1
Landis, J.2
-
10
-
-
84948472733
-
From scientific discovery to cures: Bright stars within a galaxy
-
Williams, R. S., Lotia, S., Holloway, A. K., and Pico, A. R. (2015) From scientific discovery to cures: bright stars within a galaxy Cell 163, 21-23 10.1016/j.cell.2015.09.007
-
(2015)
Cell
, vol.163
, pp. 21-23
-
-
Williams, R.S.1
Lotia, S.2
Holloway, A.K.3
Pico, A.R.4
-
11
-
-
84881296154
-
Phase II and Phase III attrition rates 2011-2012
-
Arrowsmith, J. and Miller, P. (2013) Phase II and Phase III attrition rates 2011-2012 Nat. Rev. Drug Discovery 12, 569 10.1038/nrd4090
-
(2013)
Nat. Rev. Drug Discovery
, vol.12
, pp. 569
-
-
Arrowsmith, J.1
Miller, P.2
-
12
-
-
84934439985
-
An analysis of the attrition of drug candidates from four major pharmaceutical companies
-
Waring, M. J., Arrowsmith, J., Leach, A. R., Leeson, P. D., Mandrell, S., Owen, R. M., Pairaudeau, G., Pennie, W. D., Pickett, S. D., Wang, J., Wallace, O., and Weir, A. (2015) An analysis of the attrition of drug candidates from four major pharmaceutical companies Nat. Rev. Drug Discovery 14, 475-486 10.1038/nrd4609
-
(2015)
Nat. Rev. Drug Discovery
, vol.14
, pp. 475-486
-
-
Waring, M.J.1
Arrowsmith, J.2
Leach, A.R.3
Leeson, P.D.4
Mandrell, S.5
Owen, R.M.6
Pairaudeau, G.7
Pennie, W.D.8
Pickett, S.D.9
Wang, J.10
Wallace, O.11
Weir, A.12
-
13
-
-
84892153139
-
Clinical development success rates for investigational drugs
-
Hay, M., Thomas, D. W., Craighead, J. L., Economides, C., and Rosenthal, J. (2014) Clinical development success rates for investigational drugs Nat. Biotechnol. 32, 40-51 10.1038/nbt.2786
-
(2014)
Nat. Biotechnol.
, vol.32
, pp. 40-51
-
-
Hay, M.1
Thomas, D.W.2
Craighead, J.L.3
Economides, C.4
Rosenthal, J.5
-
14
-
-
84924076465
-
What does it take to produce a breakthrough drug?
-
Calcoen, D., Elias, L., and Yu, X. (2015) What does it take to produce a breakthrough drug? Nat. Rev. Drug Discovery 14, 161-162 10.1038/nrd4570
-
(2015)
Nat. Rev. Drug Discovery
, vol.14
, pp. 161-162
-
-
Calcoen, D.1
Elias, L.2
Yu, X.3
-
15
-
-
77649234756
-
How to improve R&D productivity: The pharmaceutical industry's grand challenge
-
Paul, S. M., Mytelka, D. S., Dunwiddie, C. T., Persinger, C. C., Munos, B. H., Lindborg, S. R., and Schacht, A. L. (2010) How to improve R&D productivity: the pharmaceutical industry's grand challenge Nat. Rev. Drug Discovery 9, 203-214 10.1038/nrd3078
-
(2010)
Nat. Rev. Drug Discovery
, vol.9
, pp. 203-214
-
-
Paul, S.M.1
Mytelka, D.S.2
Dunwiddie, C.T.3
Persinger, C.C.4
Munos, B.H.5
Lindborg, S.R.6
Schacht, A.L.7
-
16
-
-
81755173447
-
An assessment of R&D productivity in the pharmaceutical industry
-
Dimitri, N. (2011) An assessment of R&D productivity in the pharmaceutical industry Trends Pharmacol. Sci. 32, 683-685 10.1016/j.tips.2011.09.005
-
(2011)
Trends Pharmacol. Sci.
, vol.32
, pp. 683-685
-
-
Dimitri, N.1
-
17
-
-
84857743319
-
Diagnosing the decline in pharmaceutical R&D efficiency
-
Scannell, J. A., Blanckley, A., Boldon, H., and Warrington, B. (2012) Diagnosing the decline in pharmaceutical R&D efficiency Nat. Rev. Drug Discovery 11, 191-200 10.1038/nrd3681
-
(2012)
Nat. Rev. Drug Discovery
, vol.11
, pp. 191-200
-
-
Scannell, J.A.1
Blanckley, A.2
Boldon, H.3
Warrington, B.4
-
18
-
-
84860690620
-
Can the flow of medicines be improved? Fundamental pharmacokinetic and pharmacological principles toward improving phase II survival
-
Morgan, P., Van Der Graaf, P. H., Arrowsmith, J., Feltner, D. E., Drummond, K. S., Wegner, C. D., and Street, S. D. A. (2012) Can the flow of medicines be improved? Fundamental pharmacokinetic and pharmacological principles toward improving phase II survival Drug Discovery Today 17, 419-424 10.1016/j.drudis.2011.12.020
-
(2012)
Drug Discovery Today
, vol.17
, pp. 419-424
-
-
Morgan, P.1
Van Der Graaf, P.H.2
Arrowsmith, J.3
Feltner, D.E.4
Drummond, K.S.5
Wegner, C.D.6
Street, S.D.A.7
-
19
-
-
84866739808
-
Drug discovery in pharmaceutical industry: Productivity challenges and trends
-
Khanna, I. (2012) Drug discovery in pharmaceutical industry: productivity challenges and trends Drug Discovery Today 17, 1088-1102 10.1016/j.drudis.2012.05.007
-
(2012)
Drug Discovery Today
, vol.17
, pp. 1088-1102
-
-
Khanna, I.1
-
20
-
-
84866385163
-
Four lessons from global health drug discovery: Medicine for an ailing industry?
-
Elliott, R. L. (2012) Four lessons from global health drug discovery: medicine for an ailing industry? ACS Med. Chem. Lett. 3, 688-690 10.1021/ml3002105
-
(2012)
ACS Med. Chem. Lett.
, vol.3
, pp. 688-690
-
-
Elliott, R.L.1
-
21
-
-
84889593989
-
Does size matter in R&D productivity? If not, what does?
-
Ringel, M., Tollman, P., Hersch, G., and Schulze, U. (2013) Does size matter in R&D productivity? If not, what does? Nat. Rev. Drug Discovery 12, 901-902 10.1038/nrd4164
-
(2013)
Nat. Rev. Drug Discovery
, vol.12
, pp. 901-902
-
-
Ringel, M.1
Tollman, P.2
Hersch, G.3
Schulze, U.4
-
22
-
-
84874732406
-
Is poor research the cause of the declining productivity of the pharmaceutical industry? An industry in need of a paradigm shift
-
Sams-Dodd, F. (2013) Is poor research the cause of the declining productivity of the pharmaceutical industry? An industry in need of a paradigm shift Drug Discovery Today 18, 211-217 10.1016/j.drudis.2012.10.010
-
(2013)
Drug Discovery Today
, vol.18
, pp. 211-217
-
-
Sams-Dodd, F.1
-
23
-
-
84878238854
-
Model-based drug development: A rational approach to efficiently accelerate drug development
-
Milligan, P. A., Brown, M. J., Marchant, B., Martin, S. W., van der Graaf, P. H., Benson, N., Nucci, G., Nichols, D. J., Boyd, R. A., Mandema, J. W., Krishnaswami, S., Zwillich, S., Gruben, D., Anziano, R. J., Stock, T. C., and Lalonde, R. L. (2013) Model-based drug development: a rational approach to efficiently accelerate drug development Clin. Pharmacol. Ther. 93, 502-514 10.1038/clpt.2013.54
-
(2013)
Clin. Pharmacol. Ther.
, vol.93
, pp. 502-514
-
-
Milligan, P.A.1
Brown, M.J.2
Marchant, B.3
Martin, S.W.4
Van Der Graaf, P.H.5
Benson, N.6
Nucci, G.7
Nichols, D.J.8
Boyd, R.A.9
Mandema, J.W.10
Krishnaswami, S.11
Zwillich, S.12
Gruben, D.13
Anziano, R.J.14
Stock, T.C.15
Lalonde, R.L.16
-
24
-
-
84897425769
-
Preclinical research: Make mouse studies work
-
Perrin, S. (2014) Preclinical research: make mouse studies work Nature 507, 423-425 10.1038/507423a
-
(2014)
Nature
, vol.507
, pp. 423-425
-
-
Perrin, S.1
-
25
-
-
84904276702
-
Discovery of innovative therapeutics: Today's realities and tomorro's vision. 2. Pharma's challenges and their commitment to innovation
-
Abou-Gharbia, M. and Childers, W. E. (2014) Discovery of innovative therapeutics: today's realities and tomorrow's vision. 2. Pharma's challenges and their commitment to innovation J. Med. Chem. 57, 5525-5553 10.1021/jm401564r
-
(2014)
J. Med. Chem.
, vol.57
, pp. 5525-5553
-
-
Abou-Gharbia, M.1
Childers, W.E.2
-
26
-
-
84896398034
-
The development speed paradox: Can increasing development speed reduce R&D productivity?
-
Lendrem, D. W. and Lendrem, B. C. (2014) The development speed paradox: can increasing development speed reduce R&D productivity? Drug Discovery Today 19, 209-214 10.1016/j.drudis.2013.09.002
-
(2014)
Drug Discovery Today
, vol.19
, pp. 209-214
-
-
Lendrem, D.W.1
Lendrem, B.C.2
-
27
-
-
84893100457
-
Improving productivity of modern-day drug discovery
-
Breyer, M. D. (2014) Improving productivity of modern-day drug discovery Expert Opin. Drug Discovery 9, 115-118 10.1517/17460441.2014.870150
-
(2014)
Expert Opin. Drug Discovery
, vol.9
, pp. 115-118
-
-
Breyer, M.D.1
-
28
-
-
84942989227
-
Why is it hard to terminate failing projects in pharmaceutical R&D?
-
Peck, R. W., Lendrem, D. W., Grant, I., Lendrem, B. C., and Isaacs, J. D. (2015) Why is it hard to terminate failing projects in pharmaceutical R&D? Nat. Rev. Drug Discovery 14, 663-664 10.1038/nrd4725
-
(2015)
Nat. Rev. Drug Discovery
, vol.14
, pp. 663-664
-
-
Peck, R.W.1
Lendrem, D.W.2
Grant, I.3
Lendrem, B.C.4
Isaacs, J.D.5
-
29
-
-
84940614472
-
The current state of drug discovery and what it might take to improve drug discovery outcomes and approval successes
-
Turner, M. J. (2015) The current state of drug discovery and what it might take to improve drug discovery outcomes and approval successes Drug Discovery Today 20, 917-919 10.1016/j.drudis.2015.06.005
-
(2015)
Drug Discovery Today
, vol.20
, pp. 917-919
-
-
Turner, M.J.1
-
30
-
-
84934439101
-
Improving R&D productivity
-
Smietana, K., Ekstrom, L., Jeffery, B., and Møller, M. (2015) Improving R&D productivity Nat. Rev. Drug Discovery 14, 455-456 10.1038/nrd4650
-
(2015)
Nat. Rev. Drug Discovery
, vol.14
, pp. 455-456
-
-
Smietana, K.1
Ekstrom, L.2
Jeffery, B.3
Møller, M.4
-
31
-
-
84927172971
-
2014 FDA drug approvals
-
Mullard, A. (2015) 2014 FDA drug approvals Nat. Rev. Drug Discovery 14, 77-81 10.1038/nrd4545
-
(2015)
Nat. Rev. Drug Discovery
, vol.14
, pp. 77-81
-
-
Mullard, A.1
-
32
-
-
84957879028
-
Fresh from the biotech pipeline - 2015
-
Mullard, A. (2016) Fresh from the biotech pipeline-2015 Nat. Rev. Drug Discovery 15, 73-76 10.1038/nrd.2016.15
-
(2016)
Nat. Rev. Drug Discovery
, vol.15
, pp. 73-76
-
-
Mullard, A.1
-
33
-
-
0037124196
-
Drugs, leads, and drug-likeness: An analysis of some recently launched drugs
-
Proudfoot, J. R. (2002) Drugs, leads, and drug-likeness: an analysis of some recently launched drugs Bioorg. Med. Chem. Lett. 12, 1647-1650 10.1016/S0960-894X(02)00244-5
-
(2002)
Bioorg. Med. Chem. Lett.
, vol.12
, pp. 1647-1650
-
-
Proudfoot, J.R.1
-
34
-
-
0037468884
-
A comparison of physiochemical property profiles of development and marketed oral drugs
-
Wenlock, M. C., Austin, R. P., Barton, P., Davis, A. M., and Leeson, P. D. (2003) A comparison of physiochemical property profiles of development and marketed oral drugs J. Med. Chem. 46, 1250-1256 10.1021/jm021053p
-
(2003)
J. Med. Chem.
, vol.46
, pp. 1250-1256
-
-
Wenlock, M.C.1
Austin, R.P.2
Barton, P.3
Davis, A.M.4
Leeson, P.D.5
-
35
-
-
0347361638
-
Characteristic physical properties and structural fragments of marketed oral drugs
-
Vieth, M., Siegel, M. G., Higgs, R. E., Watson, I. A., Robertson, D. H., Savin, K. A., Durst, G. L., and Hipskind, P. A. (2004) Characteristic physical properties and structural fragments of marketed oral drugs J. Med. Chem. 47, 224-232 10.1021/jm030267j
-
(2004)
J. Med. Chem.
, vol.47
, pp. 224-232
-
-
Vieth, M.1
Siegel, M.G.2
Higgs, R.E.3
Watson, I.A.4
Robertson, D.H.5
Savin, K.A.6
Durst, G.L.7
Hipskind, P.A.8
-
36
-
-
9744232909
-
Time-related difference in the physical property profiles of oral drugs
-
Leeson, P. D. and Davis, A. M. (2004) Time-related difference in the physical property profiles of oral drugs J. Med. Chem. 47, 6338-6348 10.1021/jm049717d
-
(2004)
J. Med. Chem.
, vol.47
, pp. 6338-6348
-
-
Leeson, P.D.1
Davis, A.M.2
-
37
-
-
16344389354
-
The evolution of synthetic oral drug properties
-
Proudfoot, J. R. (2005) The evolution of synthetic oral drug properties Bioorg. Med. Chem. Lett. 15, 1087-1090 10.1016/j.bmcl.2004.12.024
-
(2005)
Bioorg. Med. Chem. Lett.
, vol.15
, pp. 1087-1090
-
-
Proudfoot, J.R.1
-
38
-
-
35748934487
-
The influence of drug-like concepts on decision making in medicinal chemistry
-
Leeson, P. D. and Springthorpe, B. (2007) The influence of drug-like concepts on decision making in medicinal chemistry Nat. Rev. Drug Discovery 6, 881-890 10.1038/nrd2445
-
(2007)
Nat. Rev. Drug Discovery
, vol.6
, pp. 881-890
-
-
Leeson, P.D.1
Springthorpe, B.2
-
39
-
-
80053471789
-
The influence of the "organizational factor" on compound quality in drug discovery
-
Leeson, P. D. and St-Galley, S. A. (2011) The influence of the "organizational factor" on compound quality in drug discovery Nat. Rev. Drug Discovery 10, 749-765 10.1038/nrd3552
-
(2011)
Nat. Rev. Drug Discovery
, vol.10
, pp. 749-765
-
-
Leeson, P.D.1
St-Galley, S.A.2
-
40
-
-
79851508525
-
Impact of ion class and time on oral drug molecular properties
-
Leeson, P. D., St-Galley, S. A., and Wenlock, M. C. (2011) Impact of ion class and time on oral drug molecular properties MedChemComm 2, 91-105 10.1039/C0MD00157K
-
(2011)
MedChemComm
, vol.2
, pp. 91-105
-
-
Leeson, P.D.1
St-Galley, S.A.2
Wenlock, M.C.3
-
41
-
-
79955613841
-
Molecular obesity, potency and other addictions in drug discovery
-
Hann, M. M. (2011) Molecular obesity, potency and other addictions in drug discovery MedChemComm 2, 349-355 10.1039/c1md00017a
-
(2011)
MedChemComm
, vol.2
, pp. 349-355
-
-
Hann, M.M.1
-
42
-
-
52049123291
-
Do enthalpy and entropy distinguish first in class from best in class?
-
Freire, E. (2008) Do enthalpy and entropy distinguish first in class from best in class? Drug Discovery Today 13, 869-874 10.1016/j.drudis.2008.07.005
-
(2008)
Drug Discovery Today
, vol.13
, pp. 869-874
-
-
Freire, E.1
-
43
-
-
74149083849
-
Adding calorimetric data to decision making in lead discovery: A hot tip
-
Ladbury, J. E., Klebe, G., and Freire, E. (2010) Adding calorimetric data to decision making in lead discovery: a hot tip Nat. Rev. Drug Discovery 9, 23-27 10.1038/nrd3054
-
(2010)
Nat. Rev. Drug Discovery
, vol.9
, pp. 23-27
-
-
Ladbury, J.E.1
Klebe, G.2
Freire, E.3
-
44
-
-
79959243001
-
Thermodynamics of ligand binding and efficiency
-
Reynolds, C. H. and Holloway, M. K. (2011) Thermodynamics of ligand binding and efficiency ACS Med. Chem. Lett. 2, 433-437 10.1021/ml200010k
-
(2011)
ACS Med. Chem. Lett.
, vol.2
, pp. 433-437
-
-
Reynolds, C.H.1
Holloway, M.K.2
-
45
-
-
84877768087
-
Entropy-enthalpy compensation: Role and ramifications in biomolecular ligand recognition and design
-
Chodera, J. D. and Mobley, D. L. (2013) Entropy-enthalpy compensation: role and ramifications in biomolecular ligand recognition and design Annu. Rev. Biophys. 42, 121-142 10.1146/annurev-biophys-083012-130318
-
(2013)
Annu. Rev. Biophys.
, vol.42
, pp. 121-142
-
-
Chodera, J.D.1
Mobley, D.L.2
-
46
-
-
65449179589
-
Defining optimum lipophilicity and molecular weight ranges for drug candidates - Molecular weight dependent lower log D limits based on permeability
-
Waring, M. J. (2009) Defining optimum lipophilicity and molecular weight ranges for drug candidates-molecular weight dependent lower log D limits based on permeability Bioorg. Med. Chem. Lett. 19, 2844-2851 10.1016/j.bmcl.2009.03.109
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, pp. 2844-2851
-
-
Waring, M.J.1
-
47
-
-
79952171625
-
Probing the links between in vitro potency, ADMET and physicochemical parameters
-
Gleeson, M. P., Hersey, A., Montanari, D., and Overington, J. (2011) Probing the links between in vitro potency, ADMET and physicochemical parameters Nat. Rev. Drug Discovery 10, 197-208 10.1038/nrd3367
-
(2011)
Nat. Rev. Drug Discovery
, vol.10
, pp. 197-208
-
-
Gleeson, M.P.1
Hersey, A.2
Montanari, D.3
Overington, J.4
-
48
-
-
84909586310
-
Oral druggable space beyond the rule of 5: Insights from drugs and clinical candidates
-
Doak, B. C., Over, B., Giordanetto, F., and Kihlberg, J. (2014) Oral druggable space beyond the rule of 5: insights from drugs and clinical candidates Chem. Biol. 21, 1115-1142 10.1016/j.chembiol.2014.08.013
-
(2014)
Chem. Biol.
, vol.21
, pp. 1115-1142
-
-
Doak, B.C.1
Over, B.2
Giordanetto, F.3
Kihlberg, J.4
-
49
-
-
84962163302
-
How beyond rule of 5 drugs and clinical candidates bind to their targets
-
Doak, B. C., Zheng, J., Dobritzsch, D., and Kihlberg, J. (2015) How beyond rule of 5 drugs and clinical candidates bind to their targets J. Med. Chem. 10.1021/acs.jmedchem.5b01286
-
(2015)
J. Med. Chem.
-
-
Doak, B.C.1
Zheng, J.2
Dobritzsch, D.3
Kihlberg, J.4
-
50
-
-
79851514658
-
Lead optimization in the nondrug-like space
-
Zhao, H. (2011) Lead optimization in the nondrug-like space Drug Discovery Today 16, 158-163 10.1016/j.drudis.2010.12.002
-
(2011)
Drug Discovery Today
, vol.16
, pp. 158-163
-
-
Zhao, H.1
-
51
-
-
79960153981
-
Intramolecular hydrogen bonding to improve membrane permeability and absorption in beyond rule of five chemical space
-
Alex, A., Millan, D. S., Perez, M., Wakenhut, F., and Whitlock, G. (2011) Intramolecular hydrogen bonding to improve membrane permeability and absorption in beyond rule of five chemical space MedChemComm 2, 669-674 10.1039/c1md00093d
-
(2011)
MedChemComm
, vol.2
, pp. 669-674
-
-
Alex, A.1
Millan, D.S.2
Perez, M.3
Wakenhut, F.4
Whitlock, G.5
-
52
-
-
84945190129
-
Flexibility versus rigidity for orally bioavailable cyclic hexapeptides
-
Nielsen, D. S., Lohman, R. J., Hoang, H. N., Hill, T. A., Jones, A., Lucke, A. J., and Fairlie, D. P. (2015) Flexibility versus rigidity for orally bioavailable cyclic hexapeptides ChemBioChem 16, 2289-2293 10.1002/cbic.201500441
-
(2015)
ChemBioChem
, vol.16
, pp. 2289-2293
-
-
Nielsen, D.S.1
Lohman, R.J.2
Hoang, H.N.3
Hill, T.A.4
Jones, A.5
Lucke, A.J.6
Fairlie, D.P.7
-
53
-
-
84871394690
-
The future of peptide-based drugs
-
Craik, D. J., Fairlie, D. P., Liras, S., and Price, D. (2013) The future of peptide-based drugs Chem. Biol. Drug Des. 81, 136-147 10.1111/cbdd.12055
-
(2013)
Chem. Biol. Drug Des.
, vol.81
, pp. 136-147
-
-
Craik, D.J.1
Fairlie, D.P.2
Liras, S.3
Price, D.4
-
54
-
-
33644644973
-
Testing the conformational hypothesis of passive membrane permeability using synthetic cyclic peptide diastereomers
-
Rezai, T., Yu, B., Millhauser, G. L., Jacobson, M. P., and Lokey, R. S. (2006) Testing the conformational hypothesis of passive membrane permeability using synthetic cyclic peptide diastereomers J. Am. Chem. Soc. 128, 2510-2511 10.1021/ja0563455
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 2510-2511
-
-
Rezai, T.1
Yu, B.2
Millhauser, G.L.3
Jacobson, M.P.4
Lokey, R.S.5
-
55
-
-
84921484823
-
Cell-permeable cyclic peptides from synthetic libraries inspired by natural products
-
Hewitt, W. M., Leung, S. S., Pye, C. R., Ponkey, A. R., Bednarek, M., Jacobson, M. P., and Lokey, R. S. (2015) Cell-permeable cyclic peptides from synthetic libraries inspired by natural products J. Am. Chem. Soc. 137, 715-721 10.1021/ja508766b
-
(2015)
J. Am. Chem. Soc.
, vol.137
, pp. 715-721
-
-
Hewitt, W.M.1
Leung, S.S.2
Pye, C.R.3
Ponkey, A.R.4
Bednarek, M.5
Jacobson, M.P.6
Lokey, R.S.7
-
56
-
-
1942453243
-
Ligand efficiency: A useful metric for lead selection
-
Hopkins, A. L., Groom, C. R., and Alex, A. (2004) Ligand efficiency: a useful metric for lead selection Drug Discovery Today 9, 430-431 10.1016/S1359-6446(04)03069-7
-
(2004)
Drug Discovery Today
, vol.9
, pp. 430-431
-
-
Hopkins, A.L.1
Groom, C.R.2
Alex, A.3
-
57
-
-
17044403086
-
Ligand efficiency indices as guideposts for drug discovery
-
Abad-Zapetero, C. and Metz, J. T. (2005) Ligand efficiency indices as guideposts for drug discovery Drug Discovery Today 10, 464-469 10.1016/S1359-6446(05)03386-6
-
(2005)
Drug Discovery Today
, vol.10
, pp. 464-469
-
-
Abad-Zapetero, C.1
Metz, J.T.2
-
58
-
-
34447548576
-
Ligand efficiency indices for effective drug discovery
-
Abad-Zapetero, C. (2007) Ligand efficiency indices for effective drug discovery Expert Opin. Drug Discovery 2, 469-488 10.1517/17460441.2.4.469
-
(2007)
Expert Opin. Drug Discovery
, vol.2
, pp. 469-488
-
-
Abad-Zapetero, C.1
-
59
-
-
84897498691
-
Lipophilicity indices for drug development
-
Arnott, J. A., Kumar, R., and Planey, S. L. (2013) Lipophilicity indices for drug development J. Appl. Biopharm. Pharmacokinet. 1, 31-36 10.14205/2309-4435.2013.01.01.6
-
(2013)
J. Appl. Biopharm. Pharmacokinet.
, vol.1
, pp. 31-36
-
-
Arnott, J.A.1
Kumar, R.2
Planey, S.L.3
-
60
-
-
80052974259
-
Improving drug candidates by design: A focus on physicochemical properties as a means of improving compound disposition and safety
-
Meanwell, N. A. (2011) Improving drug candidates by design: a focus on physicochemical properties as a means of improving compound disposition and safety Chem. Res. Toxicol. 24, 1420-1456 10.1021/tx200211v
-
(2011)
Chem. Res. Toxicol.
, vol.24
, pp. 1420-1456
-
-
Meanwell, N.A.1
-
61
-
-
0033621044
-
The maximal affinity of ligands
-
Kuntz, I. D., Chen, K., Sharp, K. A., and Kollman, P. A. (1999) The maximal affinity of ligands Proc. Natl. Acad. Sci. U. S. A. 96, 9997-10002 10.1073/pnas.96.18.9997
-
(1999)
Proc. Natl. Acad. Sci. U. S. A.
, vol.96
, pp. 9997-10002
-
-
Kuntz, I.D.1
Chen, K.2
Sharp, K.A.3
Kollman, P.A.4
-
62
-
-
34447109128
-
The role of molecular size in ligand efficiency
-
Reynolds, C. H., Bembenek, S. D., and Tounge, B. A. (2007) The role of molecular size in ligand efficiency Bioorg. Med. Chem. Lett. 17, 4258-4261 10.1016/j.bmcl.2007.05.038
-
(2007)
Bioorg. Med. Chem. Lett.
, vol.17
, pp. 4258-4261
-
-
Reynolds, C.H.1
Bembenek, S.D.2
Tounge, B.A.3
-
63
-
-
43049088827
-
Ligand binding efficiency: Trends, physical basis, and implications
-
Reynolds, C. H., Tounge, B. A., and Bembenek, S. D. (2008) Ligand binding efficiency: trends, physical basis, and implications J. Med. Chem. 51, 2432-2438 10.1021/jm701255b
-
(2008)
J. Med. Chem.
, vol.51
, pp. 2432-2438
-
-
Reynolds, C.H.1
Tounge, B.A.2
Bembenek, S.D.3
-
64
-
-
67650085841
-
Simple, size-independent measure of ligand efficiency
-
Nissink, J. W. M. (2009) Simple, size-independent measure of ligand efficiency J. Chem. Inf. Model. 49, 1617-1622 10.1021/ci900094m
-
(2009)
J. Chem. Inf. Model.
, vol.49
, pp. 1617-1622
-
-
Nissink, J.W.M.1
-
65
-
-
84892596742
-
Improving the plausibility of success with inefficient metrics
-
Shultz, M. D. (2014) Improving the plausibility of success with inefficient metrics ACS Med. Chem. Lett. 5, 2-5 10.1021/ml4004638
-
(2014)
ACS Med. Chem. Lett.
, vol.5
, pp. 2-5
-
-
Shultz, M.D.1
-
66
-
-
54449102045
-
Group efficiency: A guideline for hits-to-leads chemistry
-
Verdonk, M. L. and Rees, D. C. (2008) Group efficiency: a guideline for hits-to-leads chemistry ChemMedChem 3, 1179-1180 10.1002/cmdc.200800132
-
(2008)
ChemMedChem
, vol.3
, pp. 1179-1180
-
-
Verdonk, M.L.1
Rees, D.C.2
-
67
-
-
84885172160
-
Setting expectations in molecular optimizations: Strengths and limitations of commonly used composite parameters
-
Shultz, M. D. (2013) Setting expectations in molecular optimizations: strengths and limitations of commonly used composite parameters Bioorg. Med. Chem. Lett. 23, 5980-5991 10.1016/j.bmcl.2013.08.029
-
(2013)
Bioorg. Med. Chem. Lett.
, vol.23
, pp. 5980-5991
-
-
Shultz, M.D.1
-
68
-
-
84902499723
-
Validity of ligand efficiency metrics
-
Murray, C. W., Erlanson, D. A., Hopkins, A. L., Keserü, G. M., Leeson, P. D., Rees, D. C., Reynolds, C. H., and Richmond, N. J. (2014) Validity of ligand efficiency metrics ACS Med. Chem. Lett. 5, 616-618 10.1021/ml500146d
-
(2014)
ACS Med. Chem. Lett.
, vol.5
, pp. 616-618
-
-
Murray, C.W.1
Erlanson, D.A.2
Hopkins, A.L.3
Keserü, G.M.4
Leeson, P.D.5
Rees, D.C.6
Reynolds, C.H.7
Richmond, N.J.8
-
69
-
-
84904389204
-
Ligand efficiency metrics considered harmful
-
Kenny, P. W., Leitão, A., and Montanari, C. A. (2014) Ligand efficiency metrics considered harmful J. Comput.-Aided Mol. Des. 28, 699-710 10.1007/s10822-014-9757-8
-
(2014)
J. Comput.-Aided Mol. Des.
, vol.28
, pp. 699-710
-
-
Kenny, P.W.1
Leitão, A.2
Montanari, C.A.3
-
70
-
-
84938514887
-
Ligand efficiency metrics: Why all the fuss?
-
Reynolds, C. H. (2015) Ligand efficiency metrics: why all the fuss? Future Med. Chem. 7, 1363-1365 10.4155/fmc.15.70
-
(2015)
Future Med. Chem.
, vol.7
, pp. 1363-1365
-
-
Reynolds, C.H.1
-
71
-
-
66349124660
-
Discovery and structure-guided drug design of inhibitors of 11β hydroxysteroid-dehydrogenase type I based on a spiro-carboxamide scaffold
-
Lepifre, F., Christmann-Franck, S., Roche, D., Leriche, C., Carniato, D., Charon, C., Bozec, S., Doare, L., Schmidlin, F., Lecomte, M., and Valeur, E. (2009) Discovery and structure-guided drug design of inhibitors of 11β hydroxysteroid-dehydrogenase type I based on a spiro-carboxamide scaffold Bioorg. Med. Chem. Lett. 19, 3682-3685 10.1016/j.bmcl.2009.02.123
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, pp. 3682-3685
-
-
Lepifre, F.1
Christmann-Franck, S.2
Roche, D.3
Leriche, C.4
Carniato, D.5
Charon, C.6
Bozec, S.7
Doare, L.8
Schmidlin, F.9
Lecomte, M.10
Valeur, E.11
-
72
-
-
84881369164
-
1-Hydroxypyrazole as a bioisostere of the acetic acid moiety in a series of aldose reductase inhibitors
-
Papastavrou, N., Chatzopoulou, M., Pegklidou, K., and Nicolaou, I. (2013) 1-Hydroxypyrazole as a bioisostere of the acetic acid moiety in a series of aldose reductase inhibitors Bioorg. Med. Chem. 21, 4951-4957 10.1016/j.bmc.2013.06.062
-
(2013)
Bioorg. Med. Chem.
, vol.21
, pp. 4951-4957
-
-
Papastavrou, N.1
Chatzopoulou, M.2
Pegklidou, K.3
Nicolaou, I.4
-
73
-
-
77950560159
-
An analysis of the binding efficiencies of drugs and their leads in successful drug discovery programs
-
Perola, E. (2010) An analysis of the binding efficiencies of drugs and their leads in successful drug discovery programs J. Med. Chem. 53, 2986-2997 10.1021/jm100118x
-
(2010)
J. Med. Chem.
, vol.53
, pp. 2986-2997
-
-
Perola, E.1
-
74
-
-
77749315417
-
Lipophilicity in drug discovery
-
Waring, M. J. (2010) Lipophilicity in drug discovery Expert Opin. Drug Discovery 5, 235-248 10.1517/17460441003605098
-
(2010)
Expert Opin. Drug Discovery
, vol.5
, pp. 235-248
-
-
Waring, M.J.1
-
75
-
-
84866879823
-
The influence of lipophilicity in drug discovery and design
-
Arnott, J. A. and Planey, S. L. (2012) The influence of lipophilicity in drug discovery and design Expert Opin. Drug Discovery 7, 863-875 10.1517/17460441.2012.714363
-
(2012)
Expert Opin. Drug Discovery
, vol.7
, pp. 863-875
-
-
Arnott, J.A.1
Planey, S.L.2
-
76
-
-
84873295517
-
Lipophilic efficiency: The most important efficiency metric in medicinal chemistry
-
Freeman-Cook, K. D. (2013) Lipophilic efficiency: the most important efficiency metric in medicinal chemistry Future Med. Chem. 5, 113-115 10.4155/fmc.12.208
-
(2013)
Future Med. Chem.
, vol.5
, pp. 113-115
-
-
Freeman-Cook, K.D.1
-
77
-
-
0031741846
-
Physical chemical properties of oral drug candidates in the discovery and exploratory development settings
-
Curatolo, W. (1998) Physical chemical properties of oral drug candidates in the discovery and exploratory development settings Pharm. Sci. Technol. Today 1, 387-393 10.1016/S1461-5347(98)00097-2
-
(1998)
Pharm. Sci. Technol. Today
, vol.1
, pp. 387-393
-
-
Curatolo, W.1
-
78
-
-
0034461768
-
Drug-like properties and the causes of poor solubility and poor permeability
-
Lipinski, C. A. (2000) Drug-like properties and the causes of poor solubility and poor permeability J. Pharmacol. Toxicol. Methods 44, 235-249 10.1016/S1056-8719(00)00107-6
-
(2000)
J. Pharmacol. Toxicol. Methods
, vol.44
, pp. 235-249
-
-
Lipinski, C.A.1
-
79
-
-
0028948839
-
A theoretical basis for a biopharmaceutics drug classification: The correlation of in vitro drug product dissolution and in vivo bioavailability
-
Amidon, G. L., Lennernas, H., Shah, V. P., and Crison, J. R. (1995) A theoretical basis for a biopharmaceutics drug classification: the correlation of in vitro drug product dissolution and in vivo bioavailability Pharm. Res. 12, 413-420 10.1023/A:1016212804288
-
(1995)
Pharm. Res.
, vol.12
, pp. 413-420
-
-
Amidon, G.L.1
Lennernas, H.2
Shah, V.P.3
Crison, J.R.4
-
80
-
-
33846176619
-
A provisional biopharmaceutical classification of the top 200 oral drug products in the United States, Great Britain, Spain, and Japan
-
Takagi, T., Ramachandran, C., Bermejo, M., Yamashita, S., Yu, L. X., and Amidon, G. L. (2006) A provisional biopharmaceutical classification of the top 200 oral drug products in the United States, Great Britain, Spain, and Japan Mol. Pharmaceutics 3, 631-643 10.1021/mp0600182
-
(2006)
Mol. Pharmaceutics
, vol.3
, pp. 631-643
-
-
Takagi, T.1
Ramachandran, C.2
Bermejo, M.3
Yamashita, S.4
Yu, L.X.5
Amidon, G.L.6
-
81
-
-
84889079603
-
Drug dissolution: Significance of physicochemical properties and physiological conditions
-
Jambhekar, S. S. and Breen, P. J. (2013) Drug dissolution: significance of physicochemical properties and physiological conditions Drug Discovery Today 18, 1173-1184 10.1016/j.drudis.2013.08.013
-
(2013)
Drug Discovery Today
, vol.18
, pp. 1173-1184
-
-
Jambhekar, S.S.1
Breen, P.J.2
-
82
-
-
84889087023
-
Current trends and future perspectives of solid dispersions containing poorly water-soluble drugs
-
Vo, C. L., Park, C., and Lee, B. J. (2013) Current trends and future perspectives of solid dispersions containing poorly water-soluble drugs Eur. J. Pharm. Biopharm. 85, 799-813 10.1016/j.ejpb.2013.09.007
-
(2013)
Eur. J. Pharm. Biopharm.
, vol.85
, pp. 799-813
-
-
Vo, C.L.1
Park, C.2
Lee, B.J.3
-
83
-
-
84941078541
-
Amorphous solid dispersions: Utilization and challenges in drug discovery and development
-
He, Y. and Ho, C. (2015) Amorphous solid dispersions: utilization and challenges in drug discovery and development J. Pharm. Sci. 104, 3237-3258 10.1002/jps.24541
-
(2015)
J. Pharm. Sci.
, vol.104
, pp. 3237-3258
-
-
He, Y.1
Ho, C.2
-
84
-
-
84863301279
-
A win-win solution in oral delivery of lipophilic drugs: Supersaturation via amorphous solid dispersions increases apparent solubility without sacrifice of intestinal membrane permeability
-
Miller, J. M., Beig, A., Carr, R. A., Spence, J. K., and Dahan, A. (2012) A win-win solution in oral delivery of lipophilic drugs: supersaturation via amorphous solid dispersions increases apparent solubility without sacrifice of intestinal membrane permeability Mol. Pharmaceutics 9, 2009-2016 10.1021/mp300104s
-
(2012)
Mol. Pharmaceutics
, vol.9
, pp. 2009-2016
-
-
Miller, J.M.1
Beig, A.2
Carr, R.A.3
Spence, J.K.4
Dahan, A.5
-
85
-
-
0019166075
-
Solubility and partitioning 1: Solubility of nonelectrolytes in water
-
Yalkowsky, S. H. and Valvani, S. C. (1980) Solubility and partitioning 1: solubility of nonelectrolytes in water J. Pharm. Sci. 69, 912-922 10.1002/jps.2600690814
-
(1980)
J. Pharm. Sci.
, vol.69
, pp. 912-922
-
-
Yalkowsky, S.H.1
Valvani, S.C.2
-
86
-
-
0035138216
-
Estimation of the aqueous solubility 1: Application to organic nonelectrolytes
-
Jain, N. and Yalkowsky, S. H. (2001) Estimation of the aqueous solubility 1: application to organic nonelectrolytes J. Pharm. Sci. 90, 234-252 10.1002/1520-6017(200102)90:2<234::AID-JPS14>3.0.CO;2-V
-
(2001)
J. Pharm. Sci.
, vol.90
, pp. 234-252
-
-
Jain, N.1
Yalkowsky, S.H.2
-
87
-
-
0035263415
-
Prediction of drug solubility by the general solubility equation (GSE)
-
Ran, Y. and Yalkowsky, S. H. (2001) Prediction of drug solubility by the general solubility equation (GSE) J. Chem. Inf. Model. 41, 354-357 10.1021/ci000338c
-
(2001)
J. Chem. Inf. Model.
, vol.41
, pp. 354-357
-
-
Ran, Y.1
Yalkowsky, S.H.2
-
88
-
-
84863418861
-
Revisiting the general solubility equation: In silico prediction of aqueous solubility incorporating the effect of topographical polar surface area
-
Ali, J., Camilleri, P., Brown, M. B., Hutt, A. J., and Kirton, S. B. (2012) Revisiting the general solubility equation: in silico prediction of aqueous solubility incorporating the effect of topographical polar surface area J. Chem. Inf. Model. 52, 420-428 10.1021/ci200387c
-
(2012)
J. Chem. Inf. Model.
, vol.52
, pp. 420-428
-
-
Ali, J.1
Camilleri, P.2
Brown, M.B.3
Hutt, A.J.4
Kirton, S.B.5
-
89
-
-
36148933709
-
Poorly soluble marketed drugs display solvation limited solubility
-
Bergström, C. A., Wassvik, C. M., Johansson, K., and Hubatsch, I. (2007) Poorly soluble marketed drugs display solvation limited solubility J. Med. Chem. 50, 5858-5862 10.1021/jm0706416
-
(2007)
J. Med. Chem.
, vol.50
, pp. 5858-5862
-
-
Bergström, C.A.1
Wassvik, C.M.2
Johansson, K.3
Hubatsch, I.4
-
90
-
-
43949104093
-
Molecular characteristics for solid-state limited solubility
-
Wassvik, C. M., Holmén, A. G., Draheim, R., Artursson, P., and Bergström, C. A. (2008) Molecular characteristics for solid-state limited solubility J. Med. Chem. 51, 3035-3039 10.1021/jm701587d
-
(2008)
J. Med. Chem.
, vol.51
, pp. 3035-3039
-
-
Wassvik, C.M.1
Holmén, A.G.2
Draheim, R.3
Artursson, P.4
Bergström, C.A.5
-
91
-
-
77957736510
-
Dissolution rate and apparent solubility of poorly soluble drugs in biorelevant dissolution media
-
Fagerberg, J. H., Tsinman, O., Sun, N., Tsinman, K., Avdeef, A., and Bergström, C. A. (2010) Dissolution rate and apparent solubility of poorly soluble drugs in biorelevant dissolution media Mol. Pharmaceutics 7, 1419-1430 10.1021/mp100049m
-
(2010)
Mol. Pharmaceutics
, vol.7
, pp. 1419-1430
-
-
Fagerberg, J.H.1
Tsinman, O.2
Sun, N.3
Tsinman, K.4
Avdeef, A.5
Bergström, C.A.6
-
92
-
-
33746156959
-
Global mapping of pharmacological space
-
Paolini, G. V., Shapland, R. H. B., van Hoorn, W. P., Mason, J. S., and Hopkins, A. L. (2006) Global mapping of pharmacological space Nat. Biotechnol. 24, 805-815 10.1038/nbt1228
-
(2006)
Nat. Biotechnol.
, vol.24
, pp. 805-815
-
-
Paolini, G.V.1
Shapland, R.H.B.2
Van Hoorn, W.P.3
Mason, J.S.4
Hopkins, A.L.5
-
93
-
-
77955509080
-
Getting physical in drug discovery: A contemporary perspective on solubility and hydrophobicity
-
Hill, A. P. and Young, R. J. (2010) Getting physical in drug discovery: a contemporary perspective on solubility and hydrophobicity Drug Discovery Today 15, 648-655 10.1016/j.drudis.2010.05.016
-
(2010)
Drug Discovery Today
, vol.15
, pp. 648-655
-
-
Hill, A.P.1
Young, R.J.2
-
94
-
-
80052844344
-
Getting physical in drug discovery II: The impact of chromatographic hydrophobicity measurements and aromaticity
-
Young, R. J., Green, D. V., Luscombe, C. N., and Hill, A. P. (2011) Getting physical in drug discovery II: the impact of chromatographic hydrophobicity measurements and aromaticity Drug Discovery Today 16, 822-830 10.1016/j.drudis.2011.06.001
-
(2011)
Drug Discovery Today
, vol.16
, pp. 822-830
-
-
Young, R.J.1
Green, D.V.2
Luscombe, C.N.3
Hill, A.P.4
-
95
-
-
84876698597
-
Increasing small molecule drug developability in sub-optimal chemical space
-
Ritchie, T. J., Macdonald, S. J. F., Peace, S., Pickett, S. D., and Luscombe, C. N. (2013) Increasing small molecule drug developability in sub-optimal chemical space MedChemComm 4, 673-680 10.1039/c3md00003f
-
(2013)
MedChemComm
, vol.4
, pp. 673-680
-
-
Ritchie, T.J.1
Macdonald, S.J.F.2
Peace, S.3
Pickett, S.D.4
Luscombe, C.N.5
-
96
-
-
69749091529
-
A consistent dataset of kinetic solubilities for early-phase drug discovery
-
Kramer, C., Heinisch, T., Fligge, T., Beck, B., and Clark, T. (2009) A consistent dataset of kinetic solubilities for early-phase drug discovery ChemMedChem 4, 1529-1536 10.1002/cmdc.200900205
-
(2009)
ChemMedChem
, vol.4
, pp. 1529-1536
-
-
Kramer, C.1
Heinisch, T.2
Fligge, T.3
Beck, B.4
Clark, T.5
-
97
-
-
39749181550
-
Generation of a set of simple, interpretable ADMET rules of thumb
-
Gleeson, M. P. (2008) Generation of a set of simple, interpretable ADMET rules of thumb J. Med. Chem. 51, 817-834 10.1021/jm701122q
-
(2008)
J. Med. Chem.
, vol.51
, pp. 817-834
-
-
Gleeson, M.P.1
-
98
-
-
0034729673
-
QSAR model for drug human oral bioavailability
-
Yoshida, F. and Topliss, J. G. (2000) QSAR model for drug human oral bioavailability J. Med. Chem. 43, 2575-2585 10.1021/jm0000564
-
(2000)
J. Med. Chem.
, vol.43
, pp. 2575-2585
-
-
Yoshida, F.1
Topliss, J.G.2
-
99
-
-
18744429213
-
Structural determinants of cytochrome P450 substrate specificity, binding affinity and catalytic rate
-
Lewis, D. F. V., Eddershaw, P. J., Dickins, M., Tarbit, M. H., and Goldfarb, P. S. (1998) Structural determinants of cytochrome P450 substrate specificity, binding affinity and catalytic rate Chem.-Biol. Interact. 115, 175-199 10.1016/S0009-2797(98)00068-4
-
(1998)
Chem.-Biol. Interact.
, vol.115
, pp. 175-199
-
-
Lewis, D.F.V.1
Eddershaw, P.J.2
Dickins, M.3
Tarbit, M.H.4
Goldfarb, P.S.5
-
100
-
-
0034600005
-
Structural characteristics of human P450s involved in drug metabolism: QSARs and lipophilicity profiles
-
Lewis, D. F. V. (2000) Structural characteristics of human P450s involved in drug metabolism: QSARs and lipophilicity profiles Toxicology 144, 197-203 10.1016/S0300-483X(99)00207-3
-
(2000)
Toxicology
, vol.144
, pp. 197-203
-
-
Lewis, D.F.V.1
-
101
-
-
0001280443
-
Substrate SARs in human P450s
-
Lewis, D. F. V. and Dickins, M. (2002) Substrate SARs in human P450s Drug Discovery Today 7, 918-925 10.1016/S1359-6446(02)02412-1
-
(2002)
Drug Discovery Today
, vol.7
, pp. 918-925
-
-
Lewis, D.F.V.1
Dickins, M.2
-
102
-
-
9644278194
-
Improving the decision-making process in the structural modification of drug candidates: Enhancing metabolic stability
-
Nassar, A. E., Kamel, A. M., and Clarimont, C. (2004) Improving the decision-making process in the structural modification of drug candidates: enhancing metabolic stability Drug Discovery Today 9, 1020-1028 10.1016/S1359-6446(04)03280-5
-
(2004)
Drug Discovery Today
, vol.9
, pp. 1020-1028
-
-
Nassar, A.E.1
Kamel, A.M.2
Clarimont, C.3
-
103
-
-
69949109727
-
Using the golden triangle to optimize clearance and oral absorption
-
Johnson, T. W., Dress, K. R., and Edwards, M. (2009) Using the golden triangle to optimize clearance and oral absorption Bioorg. Med. Chem. Lett. 19, 5560-5564 10.1016/j.bmcl.2009.08.045
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, pp. 5560-5564
-
-
Johnson, T.W.1
Dress, K.R.2
Edwards, M.3
-
104
-
-
46449114275
-
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds
-
Obach, R. S., Lombardo, F., and Waters, N. J. (2008) Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds Drug Metab. Dispos. 36, 1385-1405 10.1124/dmd.108.020479
-
(2008)
Drug Metab. Dispos.
, vol.36
, pp. 1385-1405
-
-
Obach, R.S.1
Lombardo, F.2
Waters, N.J.3
-
105
-
-
33746175746
-
Quantitative structure-activity relationships (QSARs) in CYP3A4 inhibitors: The importance of lipophilic character and hydrogen bonding
-
Lewis, D. F. V., Lake, B. G., and Dickins, M. (2006) Quantitative structure-activity relationships (QSARs) in CYP3A4 inhibitors: the importance of lipophilic character and hydrogen bonding J. Enzyme Inhib. Med. Chem. 21, 127-132 10.1080/14756360500532747
-
(2006)
J. Enzyme Inhib. Med. Chem.
, vol.21
, pp. 127-132
-
-
Lewis, D.F.V.1
Lake, B.G.2
Dickins, M.3
-
106
-
-
84916198560
-
Tactics to avoid inhibition of cytochrome P450s
-
Leach, A. G. (2013) Tactics to avoid inhibition of cytochrome P450s Top. Med. Chem. 9, 107-158 10.1007/7355-2013-25
-
(2013)
Top. Med. Chem.
, vol.9
, pp. 107-158
-
-
Leach, A.G.1
-
107
-
-
77957804992
-
Role of physicochemical properties and ligand lipophilicity efficiency in addressing drug safety risks
-
Edwards, M. P. and Price, D. A. (2010) Role of physicochemical properties and ligand lipophilicity efficiency in addressing drug safety risks Annu. Rep. Med. Chem. 45, 380-391 10.1016/S0065-7743(10)45023-X
-
(2010)
Annu. Rep. Med. Chem.
, vol.45
, pp. 380-391
-
-
Edwards, M.P.1
Price, D.A.2
-
108
-
-
77957806868
-
Reducing the risk of drug attrition associated with physicochemical properties
-
Leeson, P. D. and Empfield, J. R. (2010) Reducing the risk of drug attrition associated with physicochemical properties Annu. Rep. Med. Chem. 45, 393-407 10.1016/S0065-7743(10)45024-1
-
(2010)
Annu. Rep. Med. Chem.
, vol.45
, pp. 393-407
-
-
Leeson, P.D.1
Empfield, J.R.2
-
109
-
-
35248817286
-
Modeling promiscuity based on in vitro safety pharmacology profiling data
-
Azzaoui, K., Hamon, J., Faller, B., Whitebread, S., Jacoby, E., Bender, A., Jenkins, J. L., and Urban, L. (2007) Modeling promiscuity based on in vitro safety pharmacology profiling data ChemMedChem 2, 874-880 10.1002/cmdc.200700036
-
(2007)
ChemMedChem
, vol.2
, pp. 874-880
-
-
Azzaoui, K.1
Hamon, J.2
Faller, B.3
Whitebread, S.4
Jacoby, E.5
Bender, A.6
Jenkins, J.L.7
Urban, L.8
-
110
-
-
65549132575
-
Pharmacological promiscuity: Dependence on compound properties and target specificity in a set of recent Roche compounds
-
Peters, J.-E., Schnider, P., Mattei, P., and Kansy, M. (2009) Pharmacological promiscuity: dependence on compound properties and target specificity in a set of recent Roche compounds ChemMedChem 4, 680-686 10.1002/cmdc.200800411
-
(2009)
ChemMedChem
, vol.4
, pp. 680-686
-
-
Peters, J.-E.1
Schnider, P.2
Mattei, P.3
Kansy, M.4
-
111
-
-
49849094738
-
Physicochemical drug properties associated with in vivo toxicological outcomes
-
Hughes, J. D., Blagg, J., Price, D. A., Bailey, S., DeCrescenzo, G. A., Devraj, R. V., Ellsworth, E., Fobian, Y. M., Gibbs, M. E., Gilles, R. W., Greene, N., Huang, E., Krieger-Burke, T., Loesel, J., Wager, T., Whitely, L., and Zhang, Y. (2008) Physicochemical drug properties associated with in vivo toxicological outcomes Bioorg. Med. Chem. Lett. 18, 4872-4875 10.1016/j.bmcl.2008.07.071
-
(2008)
Bioorg. Med. Chem. Lett.
, vol.18
, pp. 4872-4875
-
-
Hughes, J.D.1
Blagg, J.2
Price, D.A.3
Bailey, S.4
DeCrescenzo, G.A.5
Devraj, R.V.6
Ellsworth, E.7
Fobian, Y.M.8
Gibbs, M.E.9
Gilles, R.W.10
Greene, N.11
Huang, E.12
Krieger-Burke, T.13
Loesel, J.14
Wager, T.15
Whitely, L.16
Zhang, Y.17
-
112
-
-
84880622537
-
Are hERG channel blockers also phospholipidosis inducers?
-
Sun, H., Xia, M., Shahane, S. A., Jadhav, A., Austin, C. P., and Huang, R. (2013) Are hERG channel blockers also phospholipidosis inducers? Bioorg. Med. Chem. Lett. 23, 4587-4590 10.1016/j.bmcl.2013.06.034
-
(2013)
Bioorg. Med. Chem. Lett.
, vol.23
, pp. 4587-4590
-
-
Sun, H.1
Xia, M.2
Shahane, S.A.3
Jadhav, A.4
Austin, C.P.5
Huang, R.6
-
113
-
-
33749042117
-
Drug-induced phospholipidosis
-
Anderson, N. and Borlak, J. (2006) Drug-induced phospholipidosis FEBS Lett. 580, 5533-5540 10.1016/j.febslet.2006.08.061
-
(2006)
FEBS Lett.
, vol.580
, pp. 5533-5540
-
-
Anderson, N.1
Borlak, J.2
-
114
-
-
68249083749
-
Screening for the drug-phospholipid interaction: Correlation to phospholipidosis
-
Alakoskela, J.-M., Vitovic, P., and Kinnunen, P. K. J. (2009) Screening for the drug-phospholipid interaction: correlation to phospholipidosis ChemMedChem 4, 1224-1251 10.1002/cmdc.200900052
-
(2009)
ChemMedChem
, vol.4
, pp. 1224-1251
-
-
Alakoskela, J.-M.1
Vitovic, P.2
Kinnunen, P.K.J.3
-
115
-
-
1842525842
-
Use of physicochemical calculation of p K a and CLog P to predict phospholipidosis-inducing potential: A case study with structurally related piperazines
-
Ploemen, J.-P. H. T. M., Kelder, J., Hafmans, T., van de Sandt, H., van Burgsteden, J. A., Saleminki, P. J., and van Esch, E. (2004) Use of physicochemical calculation of p K a and CLog P to predict phospholipidosis-inducing potential: a case study with structurally related piperazines Exp. Toxicol. Pathol. 55, 347-355 10.1078/0940-2993-00338
-
(2004)
Exp. Toxicol. Pathol.
, vol.55
, pp. 347-355
-
-
Ploemen, J.-P.H.T.M.1
Kelder, J.2
Hafmans, T.3
Van De Sandt, H.4
Van Burgsteden, J.A.5
Saleminki, P.J.6
Van Esch, E.7
-
116
-
-
34250791619
-
Evaluation of a published in silico model and construction of a novel Bayesian model for predicting phospholipidosis inducing potential
-
Pelletier, D. J., Gehlhaar, D., Tilloy-Ellul, A., Johnson, T. O., and Greene, N. (2007) Evaluation of a published in silico model and construction of a novel Bayesian model for predicting phospholipidosis inducing potential J. Chem. Inf. Model. 47, 1196-1205 10.1021/ci6004542
-
(2007)
J. Chem. Inf. Model.
, vol.47
, pp. 1196-1205
-
-
Pelletier, D.J.1
Gehlhaar, D.2
Tilloy-Ellul, A.3
Johnson, T.O.4
Greene, N.5
-
117
-
-
33750928793
-
Physicochemical and cell-based approach for early screening of phospholipidosis-inducing potential
-
Tomizawa, K., Sugano, K., Yamada, H., and Horii, I. (2006) Physicochemical and cell-based approach for early screening of phospholipidosis-inducing potential J. Toxicol. Sci. 31, 315-324 10.2131/jts.31.315
-
(2006)
J. Toxicol. Sci.
, vol.31
, pp. 315-324
-
-
Tomizawa, K.1
Sugano, K.2
Yamada, H.3
Horii, I.4
-
118
-
-
77951212394
-
Phospholipidosis as a function of basicity, lipophilicity, and volume of distribution of compounds
-
Hanumegowda, U. M., Wenke, G., Regueiro-Ren, A., Yordanova, R., Corradi, J. P., and Adams, S. P. (2010) Phospholipidosis as a function of basicity, lipophilicity, and volume of distribution of compounds Chem. Res. Toxicol. 23, 749-755 10.1021/tx9003825
-
(2010)
Chem. Res. Toxicol.
, vol.23
, pp. 749-755
-
-
Hanumegowda, U.M.1
Wenke, G.2
Regueiro-Ren, A.3
Yordanova, R.4
Corradi, J.P.5
Adams, S.P.6
-
119
-
-
70349489144
-
Medicinal chemistry strategies to minimize phospholipidosis
-
Ratcliffe, A. J. (2009) Medicinal chemistry strategies to minimize phospholipidosis Curr. Med. Chem. 16, 2816-2823 10.2174/092986709788803213
-
(2009)
Curr. Med. Chem.
, vol.16
, pp. 2816-2823
-
-
Ratcliffe, A.J.1
-
120
-
-
80054113467
-
Drug-induced phospholipidosis
-
Bernstein, P. R., Ciaccio, P., and Morelli, J. (2011) Drug-induced phospholipidosis Annu. Rep. Med. Chem. 46, 419-430 10.1016/B978-0-12-386009-5.00001-1
-
(2011)
Annu. Rep. Med. Chem.
, vol.46
, pp. 419-430
-
-
Bernstein, P.R.1
Ciaccio, P.2
Morelli, J.3
-
121
-
-
84864185732
-
Structure based model for the prediction of phospholipidosis induction potential of small molecules
-
Sun, H., Shahane, S., Xia, M., Austin, C. P., and Huang, R. (2012) Structure based model for the prediction of phospholipidosis induction potential of small molecules J. Chem. Inf. Model. 52, 1798-1805 10.1021/ci3001875
-
(2012)
J. Chem. Inf. Model.
, vol.52
, pp. 1798-1805
-
-
Sun, H.1
Shahane, S.2
Xia, M.3
Austin, C.P.4
Huang, R.5
-
122
-
-
84855856561
-
In silico assay for assessing phospholipidosis potential of small drug like molecules: Training, validation, and refinement using several data sets
-
Fischer, H., Atzpodien, E. A., Csato, M., Doessegger, L., Lenz, B., Schmitt, G., and Singer, T. (2012) In silico assay for assessing phospholipidosis potential of small drug like molecules: training, validation, and refinement using several data sets J. Med. Chem. 55, 126-139 10.1021/jm201082a
-
(2012)
J. Med. Chem.
, vol.55
, pp. 126-139
-
-
Fischer, H.1
Atzpodien, E.A.2
Csato, M.3
Doessegger, L.4
Lenz, B.5
Schmitt, G.6
Singer, T.7
-
123
-
-
33847336843
-
A quantitative assessment of hERG liability as a function of lipophilicity
-
Waring, M. J. and Johnstone, C. (2007) A quantitative assessment of hERG liability as a function of lipophilicity Bioorg. Med. Chem. Lett. 17, 1759-1764 10.1016/j.bmcl.2006.12.061
-
(2007)
Bioorg. Med. Chem. Lett.
, vol.17
, pp. 1759-1764
-
-
Waring, M.J.1
Johnstone, C.2
-
124
-
-
80052282205
-
A risk assessment of human ether-à-go-go-related gene potassium channel inhibition by using lipophilicity and basicity for drug discovery
-
Kawai, Y., Tsukamoto, S., Ito, J., Akimoto, K., and Takahashi, M. (2011) A risk assessment of human ether-à-go-go-related gene potassium channel inhibition by using lipophilicity and basicity for drug discovery Chem. Pharm. Bull. 59, 1110-1116 10.1248/cpb.59.1110
-
(2011)
Chem. Pharm. Bull.
, vol.59
, pp. 1110-1116
-
-
Kawai, Y.1
Tsukamoto, S.2
Ito, J.3
Akimoto, K.4
Takahashi, M.5
-
125
-
-
84937629636
-
Computational investigations of hERG channel blockers: New insights and current predictive models
-
Villoutreix, B. O. and Taboureau, O. (2015) Computational investigations of hERG channel blockers: new insights and current predictive models Adv. Drug Delivery Rev. 86, 72-82 10.1016/j.addr.2015.03.003
-
(2015)
Adv. Drug Delivery Rev.
, vol.86
, pp. 72-82
-
-
Villoutreix, B.O.1
Taboureau, O.2
-
126
-
-
84860359784
-
Finding the sweet spot: The role of nature and nurture in medicinal chemistry
-
Hann, M. M. and Keserü, G. M. (2012) Finding the sweet spot: the role of nature and nurture in medicinal chemistry Nat. Rev. Drug Discovery 11, 355-365 10.1038/nrd3701
-
(2012)
Nat. Rev. Drug Discovery
, vol.11
, pp. 355-365
-
-
Hann, M.M.1
Keserü, G.M.2
-
127
-
-
67649962669
-
2 antagonists using parallel synthesis protocols: A lipophilic efficiency (LipE) analysis
-
2 antagonists using parallel synthesis protocols: a lipophilic efficiency (LipE) analysis Bioorg. Med. Chem. Lett. 19, 4406-4409 10.1016/j.bmcl.2009.05.062
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, pp. 4406-4409
-
-
Ryckmans, T.1
Edwards, M.P.2
Horne, V.A.3
Monica Correia, A.4
Owen, D.R.5
Thompson, L.R.6
Tran, I.7
Tutt, M.F.8
Young, T.9
-
128
-
-
84885190072
-
The thermodynamic basis for the use of lipophilic efficiency (LipE) in enthalpic optimizations
-
Shultz, M. D. (2013) The thermodynamic basis for the use of lipophilic efficiency (LipE) in enthalpic optimizations Bioorg. Med. Chem. Lett. 23, 5992-6000 10.1016/j.bmcl.2013.08.030
-
(2013)
Bioorg. Med. Chem. Lett.
, vol.23
, pp. 5992-6000
-
-
Shultz, M.D.1
-
129
-
-
37049036372
-
Binding kinetics of darunavir to human immunodeficiency virus type 1 protease explain the potent antiviral activity and high genetic barrier
-
Dierynck, I., De Wit, M., Gustin, E., Keuleers, I., Vandersmissen, J., Hallenberger, S., and Hertogs, K. (2007) Binding kinetics of darunavir to human immunodeficiency virus type 1 protease explain the potent antiviral activity and high genetic barrier J. Virol. 81, 13845-13851 10.1128/JVI.01184-07
-
(2007)
J. Virol.
, vol.81
, pp. 13845-13851
-
-
Dierynck, I.1
De Wit, M.2
Gustin, E.3
Keuleers, I.4
Vandersmissen, J.5
Hallenberger, S.6
Hertogs, K.7
-
130
-
-
80051799265
-
Assessing the lipophilicity of fragments and early hits
-
Mortenson, P. N. and Murray, C. W. (2011) Assessing the lipophilicity of fragments and early hits J. Comput.-Aided Mol. Des. 25, 663-667 10.1007/s10822-011-9435-z
-
(2011)
J. Comput.-Aided Mol. Des.
, vol.25
, pp. 663-667
-
-
Mortenson, P.N.1
Murray, C.W.2
-
131
-
-
61649109015
-
The influence of lead discovery strategies on the properties of drug candidates
-
Keserü, G. M. and Makara, G. M. (2009) The influence of lead discovery strategies on the properties of drug candidates Nat. Rev. Drug Discovery 8, 203-212 10.1038/nrd2796
-
(2009)
Nat. Rev. Drug Discovery
, vol.8
, pp. 203-212
-
-
Keserü, G.M.1
Makara, G.M.2
-
132
-
-
84856846240
-
Impact of lipophilic efficiency on compound quality
-
Tarcsay, A., Nyíri, K., and Keseru{combining double acute accent}, G. M. (2012) Impact of lipophilic efficiency on compound quality J. Med. Chem. 55, 1252-1260 10.1021/jm201388p
-
(2012)
J. Med. Chem.
, vol.55
, pp. 1252-1260
-
-
Tarcsay, A.1
Nyíri, K.2
Keseru, G.M.3
-
133
-
-
84893307473
-
The role of ligand efficiency metrics in drug discovery
-
Hopkins, A. L., Keserü, G. M., Leeson, P. D., Rees, D. C., and Reynolds, C. H. (2014) The role of ligand efficiency metrics in drug discovery Nat. Rev. Drug Discovery 13, 105-121 10.1038/nrd4163
-
(2014)
Nat. Rev. Drug Discovery
, vol.13
, pp. 105-121
-
-
Hopkins, A.L.1
Keserü, G.M.2
Leeson, P.D.3
Rees, D.C.4
Reynolds, C.H.5
-
134
-
-
80054782568
-
The successful quest for oral factor Xa inhibitors, learnings for all of medicinal chemistry?
-
Young, R. J. (2011) The successful quest for oral factor Xa inhibitors, learnings for all of medicinal chemistry? Bioorg. Med. Chem. Lett. 21, 6228-6235 10.1016/j.bmcl.2011.08.119
-
(2011)
Bioorg. Med. Chem. Lett.
, vol.21
, pp. 6228-6235
-
-
Young, R.J.1
-
135
-
-
33845937770
-
Structure-brain exposure relationships
-
Hitchcock, S. A. and Pennington, L. D. (2006) Structure-brain exposure relationships J. Med. Chem. 49, 7559-7583 10.1021/jm060642i
-
(2006)
J. Med. Chem.
, vol.49
, pp. 7559-7583
-
-
Hitchcock, S.A.1
Pennington, L.D.2
-
136
-
-
84856046963
-
Knowledge-based, central nervous system (CNS) lead selection and lead optimization for CNS drug discovery
-
Ghose, A. K., Herbertz, T., Hudkins, R. L., Dorsey, B. D., and Mallamo, J. P. (2012) Knowledge-based, central nervous system (CNS) lead selection and lead optimization for CNS drug discovery ACS Chem. Neurosci. 3, 50-68 10.1021/cn200100h
-
(2012)
ACS Chem. Neurosci.
, vol.3
, pp. 50-68
-
-
Ghose, A.K.1
Herbertz, T.2
Hudkins, R.L.3
Dorsey, B.D.4
Mallamo, J.P.5
-
137
-
-
84928648975
-
Molecular properties determining unbound intracellular and extracellular brain exposure of CNS drug candidates
-
Loryan, I., Sinha, V., Mackie, C., Van Peer, A., Drinkenburg, W. H., Vermeulen, A., Heald, D., Hammarlund-Udenaes, M., and Wassvik, C. M. (2015) Molecular properties determining unbound intracellular and extracellular brain exposure of CNS drug candidates Mol. Pharmaceutics 12, 520-232 10.1021/mp5005965
-
(2015)
Mol. Pharmaceutics
, vol.12
, pp. 520-1232
-
-
Loryan, I.1
Sinha, V.2
Mackie, C.3
Van Peer, A.4
Drinkenburg, W.H.5
Vermeulen, A.6
Heald, D.7
Hammarlund-Udenaes, M.8
Wassvik, C.M.9
-
138
-
-
84925854124
-
CNS drug design: Balancing physicochemical properties for optimal brain exposure
-
Rankovic, Z. (2015) CNS drug design: balancing physicochemical properties for optimal brain exposure J. Med. Chem. 58, 2584-2608 10.1021/jm501535r
-
(2015)
J. Med. Chem.
, vol.58
, pp. 2584-2608
-
-
Rankovic, Z.1
-
139
-
-
77953680038
-
Defining desirable central nervous system drug space through alignment of molecular properties, in vitro ADME, and safety attributes
-
Wager, T. T., Chandrasekaran, R. Y., Hou, X., Troutman, M. D., Verhoest, P. R., Villalobos, A., and Will, Y. (2010) Defining desirable central nervous system drug space through alignment of molecular properties, in vitro ADME, and safety attributes ACS Chem. Neurosci. 1, 420-434 10.1021/cn100007x
-
(2010)
ACS Chem. Neurosci.
, vol.1
, pp. 420-434
-
-
Wager, T.T.1
Chandrasekaran, R.Y.2
Hou, X.3
Troutman, M.D.4
Verhoest, P.R.5
Villalobos, A.6
Will, Y.7
-
140
-
-
77953675980
-
Moving beyond rules: The development of a central nervous system mulitparameter optimization (CNS MPO) approach to enable alignment of druglike properties
-
Wager, T. T., Hou, X., Verhoest, P. R., and Villalobos, A. (2010) Moving beyond rules: the development of a central nervous system mulitparameter optimization (CNS MPO) approach to enable alignment of druglike properties ACS Chem. Neurosci. 1, 435-449 10.1021/cn100008c
-
(2010)
ACS Chem. Neurosci.
, vol.1
, pp. 435-449
-
-
Wager, T.T.1
Hou, X.2
Verhoest, P.R.3
Villalobos, A.4
-
141
-
-
84867577372
-
How hydrogen bonds impact P-glycoprotein transport and permeability
-
Desai, P. V., Raub, T. J., and Blanco, M. J. (2012) How hydrogen bonds impact P-glycoprotein transport and permeability Bioorg. Med. Chem. Lett. 22, 6540-6548 10.1016/j.bmcl.2012.08.059
-
(2012)
Bioorg. Med. Chem. Lett.
, vol.22
, pp. 6540-6548
-
-
Desai, P.V.1
Raub, T.J.2
Blanco, M.J.3
-
142
-
-
84862296187
-
Structural modifications that alter the P-glycoprotein efflux properties of compounds
-
Hitchcock, S. A. (2012) Structural modifications that alter the P-glycoprotein efflux properties of compounds J. Med. Chem. 55, 4877-4895 10.1021/jm201136z
-
(2012)
J. Med. Chem.
, vol.55
, pp. 4877-4895
-
-
Hitchcock, S.A.1
-
143
-
-
1442301563
-
How significant is the role of P-glycoprotein in drug absorption and brain uptake?
-
Lin, J. H. (2004) How significant is the role of P-glycoprotein in drug absorption and brain uptake? Drugs Today 40, 5-22 10.1358/dot.2004.40.1.799434
-
(2004)
Drugs Today
, vol.40
, pp. 5-22
-
-
Lin, J.H.1
-
144
-
-
33144479357
-
Role of ABCG2/BCRP in biology and medicine
-
Krishnamurthy, P. and Schuetz, J. D. (2006) Role of ABCG2/BCRP in biology and medicine Annu. Rev. Pharmacol. Toxicol. 46, 381-410 10.1146/annurev.pharmtox.46.120604.141238
-
(2006)
Annu. Rev. Pharmacol. Toxicol.
, vol.46
, pp. 381-410
-
-
Krishnamurthy, P.1
Schuetz, J.D.2
-
145
-
-
30344487254
-
Use of P-glycoprotein and BCRP inhibitors to improve oral bioavailability and CNS penetration of anticancer drugs
-
Breedveld, P., Beijnen, J. H., and Schellens, J. H. (2006) Use of P-glycoprotein and BCRP inhibitors to improve oral bioavailability and CNS penetration of anticancer drugs Trends Pharmacol. Sci. 27, 17-24 10.1016/j.tips.2005.11.009
-
(2006)
Trends Pharmacol. Sci.
, vol.27
, pp. 17-24
-
-
Breedveld, P.1
Beijnen, J.H.2
Schellens, J.H.3
-
146
-
-
84941584887
-
Chemical biology of leucine-rich repeat kinase 2 (LRRK2) inhibitors
-
Estrada, A. A. and Sweeney, Z. K. (2015) Chemical biology of leucine-rich repeat kinase 2 (LRRK2) inhibitors J. Med. Chem. 58, 6733-6746 10.1021/acs.jmedchem.5b00261
-
(2015)
J. Med. Chem.
, vol.58
, pp. 6733-6746
-
-
Estrada, A.A.1
Sweeney, Z.K.2
-
147
-
-
84955468444
-
Probabilistic approach to generating MPOs and its application as a scoring function for CNS drugs
-
Gunaydin, H. (2016) Probabilistic approach to generating MPOs and its application as a scoring function for CNS drugs ACS Med. Chem. Lett. 7, 89-93 10.1021/acsmedchemlett.5b00390
-
(2016)
ACS Med. Chem. Lett.
, vol.7
, pp. 89-93
-
-
Gunaydin, H.1
-
148
-
-
0031024171
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
Lipinski, C. A., Lombardo, F., Dominy, B. W., and Feeney, P. J. (1997) Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings Adv. Drug Delivery Rev. 23, 3-25 10.1016/S0169-409X(96)00423-1
-
(1997)
Adv. Drug Delivery Rev.
, vol.23
, pp. 3-25
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
149
-
-
84866244593
-
Softening the rule of five - Where to draw the line?
-
Petit, J., Meurice, N., Kaiser, C., and Maggiora, G. (2012) Softening the rule of five-where to draw the line? Bioorg. Med. Chem. 20, 5343-5351 10.1016/j.bmc.2011.11.064
-
(2012)
Bioorg. Med. Chem.
, vol.20
, pp. 5343-5351
-
-
Petit, J.1
Meurice, N.2
Kaiser, C.3
Maggiora, G.4
-
150
-
-
33751547539
-
How many drug targets are there?
-
Overington, J. P., Al-Lazikani, B., and Hopkins, A. L. (2006) How many drug targets are there? Nat. Rev. Drug Discovery 5, 993-996 10.1038/nrd2199
-
(2006)
Nat. Rev. Drug Discovery
, vol.5
, pp. 993-996
-
-
Overington, J.P.1
Al-Lazikani, B.2
Hopkins, A.L.3
-
151
-
-
37549071045
-
Drug discovery beyond the 'rule-of-five'
-
Zhang, M. Q. and Wilkinson, B. (2007) Drug discovery beyond the 'rule-of-five' Curr. Opin. Biotechnol. 18, 478-488 10.1016/j.copbio.2007.10.005
-
(2007)
Curr. Opin. Biotechnol.
, vol.18
, pp. 478-488
-
-
Zhang, M.Q.1
Wilkinson, B.2
-
152
-
-
0037030653
-
Molecular properties that influence the oral bioavailability of drug candidates
-
Veber, D. F., Johnson, S. R., Cheng, H.-Y., Smith, B. R., Ward, K. W., and Kopple, K. D. (2002) Molecular properties that influence the oral bioavailability of drug candidates J. Med. Chem. 45, 2615-2623 10.1021/jm020017n
-
(2002)
J. Med. Chem.
, vol.45
, pp. 2615-2623
-
-
Veber, D.F.1
Johnson, S.R.2
Cheng, H.-Y.3
Smith, B.R.4
Ward, K.W.5
Kopple, K.D.6
-
153
-
-
80052575807
-
Discovery of PF-184563, a potent and selective V1a antagonist for the treatment of dysmenorrhoea. The influence of compound flexibility on microsomal stability
-
Johnson, P. S., Ryckmans, T., Bryans, J., Beal, D. M., Dack, K. N., Feeder, N., Harrison, A., Lewis, M., Mason, H. J., Mills, J., Newman, J., Pasquinet, C., Rawson, D. J., Roberts, L. R., Russell, R., Spark, D., Stobie, A., Underwood, T. J., Ward, R., and Wheeler, S. (2011) Discovery of PF-184563, a potent and selective V1a antagonist for the treatment of dysmenorrhoea. The influence of compound flexibility on microsomal stability Bioorg. Med. Chem. Lett. 21, 5684-5687 10.1016/j.bmcl.2011.08.038
-
(2011)
Bioorg. Med. Chem. Lett.
, vol.21
, pp. 5684-5687
-
-
Johnson, P.S.1
Ryckmans, T.2
Bryans, J.3
Beal, D.M.4
Dack, K.N.5
Feeder, N.6
Harrison, A.7
Lewis, M.8
Mason, H.J.9
Mills, J.10
Newman, J.11
Pasquinet, C.12
Rawson, D.J.13
Roberts, L.R.14
Russell, R.15
Spark, D.16
Stobie, A.17
Underwood, T.J.18
Ward, R.19
Wheeler, S.20
more..
-
154
-
-
8644219619
-
Influence of molecular flexibility and polar surface area metrics on oral bioavailability in the rat
-
Lu, J. J., Crimin, K., Goodwin, J. T., Crivori, P., Orrenius, C., Xing, L., Tandler, P. J., Vidmar, T. J., Amore, B. M., Wilson, A. G. E., Stouten, P. F. W., and Burton, P. S. (2004) Influence of molecular flexibility and polar surface area metrics on oral bioavailability in the rat J. Med. Chem. 47, 6104-6107 10.1021/jm0306529
-
(2004)
J. Med. Chem.
, vol.47
, pp. 6104-6107
-
-
Lu, J.J.1
Crimin, K.2
Goodwin, J.T.3
Crivori, P.4
Orrenius, C.5
Xing, L.6
Tandler, P.J.7
Vidmar, T.J.8
Amore, B.M.9
Wilson, A.G.E.10
Stouten, P.F.W.11
Burton, P.S.12
-
155
-
-
79958266864
-
ADME evaluation in drug discovery. 9. Prediction of oral bioavailability in humans based on molecular properties and structural fingerprints
-
Tian, S., Li, Y., Wang, J., Zhang, J., and Hou, T. (2011) ADME evaluation in drug discovery. 9. Prediction of oral bioavailability in humans based on molecular properties and structural fingerprints Mol. Pharmaceutics 8, 841-851 10.1021/mp100444g
-
(2011)
Mol. Pharmaceutics
, vol.8
, pp. 841-851
-
-
Tian, S.1
Li, Y.2
Wang, J.3
Zhang, J.4
Hou, T.5
-
156
-
-
78650699097
-
Molecular topology analysis of the differences between drugs, clinical candidate compounds, and bioactive molecules
-
Chen, H., Yang, Y., and Engkvist, O. (2010) Molecular topology analysis of the differences between drugs, clinical candidate compounds, and bioactive molecules J. Chem. Inf. Model. 50, 2141-2150 10.1021/ci1002558
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 2141-2150
-
-
Chen, H.1
Yang, Y.2
Engkvist, O.3
-
157
-
-
78149236457
-
Investigation of the relationship between topology and selectivity for druglike molecules
-
Yang, Y., Chen, H., Nilsson, I., Muresan, S., and Engkvist, O. (2010) Investigation of the relationship between topology and selectivity for druglike molecules J. Med. Chem. 53, 7709-7714 10.1021/jm1008456
-
(2010)
J. Med. Chem.
, vol.53
, pp. 7709-7714
-
-
Yang, Y.1
Chen, H.2
Nilsson, I.3
Muresan, S.4
Engkvist, O.5
-
158
-
-
84863251729
-
A comparative analysis of the molecular topologies for drugs, clinical candidates, natural products, human metabolites and general bioactive compounds
-
Chen, H., Engkvist, O., Blomberg, N., and Li, J. (2012) A comparative analysis of the molecular topologies for drugs, clinical candidates, natural products, human metabolites and general bioactive compounds MedChemComm 3, 312-321 10.1039/C2MD00238H
-
(2012)
MedChemComm
, vol.3
, pp. 312-321
-
-
Chen, H.1
Engkvist, O.2
Blomberg, N.3
Li, J.4
-
159
-
-
84860267055
-
Beyond size, ionization state, and lipophilicity: Influence of molecular topology on absorption, distribution, metabolism, excretion, and toxicity for druglike compounds
-
Yang, Y., Engkvist, O., Llinàs, A., and Chen, H. (2012) Beyond size, ionization state, and lipophilicity: influence of molecular topology on absorption, distribution, metabolism, excretion, and toxicity for druglike compounds J. Med. Chem. 55, 3667-3677 10.1021/jm201548z
-
(2012)
J. Med. Chem.
, vol.55
, pp. 3667-3677
-
-
Yang, Y.1
Engkvist, O.2
Llinàs, A.3
Chen, H.4
-
160
-
-
84874436407
-
3D molecular descriptors important for clinical success
-
Kombo, D. C., Tallapragada, K., Jain, R., Chewning, J., Mazurov, A. A., Speake, J. D., Hauser, T. A., and Toler, S. (2013) 3D molecular descriptors important for clinical success J. Chem. Inf. Model. 53, 327-342 10.1021/ci300445e
-
(2013)
J. Chem. Inf. Model.
, vol.53
, pp. 327-342
-
-
Kombo, D.C.1
Tallapragada, K.2
Jain, R.3
Chewning, J.4
Mazurov, A.A.5
Speake, J.D.6
Hauser, T.A.7
Toler, S.8
-
161
-
-
71049126548
-
Escape from flatland: Increasing saturation as an approach to improving clinical success
-
Lovering, F., Bikker, J., and Humblet, C. (2009) Escape from flatland: increasing saturation as an approach to improving clinical success J. Med. Chem. 52, 6752-6756 10.1021/jm901241e
-
(2009)
J. Med. Chem.
, vol.52
, pp. 6752-6756
-
-
Lovering, F.1
Bikker, J.2
Humblet, C.3
-
162
-
-
84874464077
-
Escape from flatland 2: Complexity and promiscuity
-
Lovering, F. (2013) Escape from flatland 2: complexity and promiscuity MedChemComm 4, 515-519 10.1039/c2md20347b
-
(2013)
MedChemComm
, vol.4
, pp. 515-519
-
-
Lovering, F.1
-
163
-
-
78650459806
-
Small molecules of different synthetic and natural origins have distinct distributions of structural complexity that correlate with protein binding profiles
-
Clemons, P. A., Bodycombe, N. E., Carrinski, H. A., Wilson, J. A., Shamji, A. F., Wagner, B. K., Koehler, A. N., and Schreiber, S. L. (2010) Small molecules of different synthetic and natural origins have distinct distributions of structural complexity that correlate with protein binding profiles Proc. Natl. Acad. Sci. U. S. A. 107, 18787-18792 10.1073/pnas.1012741107
-
(2010)
Proc. Natl. Acad. Sci. U. S. A.
, vol.107
, pp. 18787-18792
-
-
Clemons, P.A.1
Bodycombe, N.E.2
Carrinski, H.A.3
Wilson, J.A.4
Shamji, A.F.5
Wagner, B.K.6
Koehler, A.N.7
Schreiber, S.L.8
-
164
-
-
77955816970
-
Distinct biological network properties between the targets of natural products and disease genes
-
Dancik, V., Seiler, K. P., Young, D. W., Schreiber, S. L., and Clemons, P. A. (2010) Distinct biological network properties between the targets of natural products and disease genes J. Am. Chem. Soc. 132, 9259-9261 10.1021/ja102798t
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 9259-9261
-
-
Dancik, V.1
Seiler, K.P.2
Young, D.W.3
Schreiber, S.L.4
Clemons, P.A.5
-
165
-
-
0037208308
-
Property distributions: Differences between drugs, natural products, and molecules from combinatorial chemistry
-
Feher, M. and Schmidt, J. M. (2003) Property distributions: differences between drugs, natural products, and molecules from combinatorial chemistry J. Chem. Inf. Model. 43, 218-227 10.1021/ci0200467
-
(2003)
J. Chem. Inf. Model.
, vol.43
, pp. 218-227
-
-
Feher, M.1
Schmidt, J.M.2
-
166
-
-
78649335410
-
Characteristics of known drug space. Natural products, their derivatives and synthetic drugs
-
Bade, R., Chan, H. F., and Reynisson, J. (2010) Characteristics of known drug space. Natural products, their derivatives and synthetic drugs Eur. J. Med. Chem. 45, 5646-5652 10.1016/j.ejmech.2010.09.018
-
(2010)
Eur. J. Med. Chem.
, vol.45
, pp. 5646-5652
-
-
Bade, R.1
Chan, H.F.2
Reynisson, J.3
-
167
-
-
84933056390
-
Analysis of physicochemical properties for drugs of natural origin
-
Camp, D., Garavelas, A., and Campitelli, M. (2015) Analysis of physicochemical properties for drugs of natural origin J. Nat. Prod. 78, 1370-1382 10.1021/acs.jnatprod.5b00255
-
(2015)
J. Nat. Prod.
, vol.78
, pp. 1370-1382
-
-
Camp, D.1
Garavelas, A.2
Campitelli, M.3
-
168
-
-
84944274915
-
Cheminformatic comparison of approved drugs from natural product versus synthetic origins
-
Stratton, C. F., Newman, D. J., and Tan, D. S. (2015) Cheminformatic comparison of approved drugs from natural product versus synthetic origins Bioorg. Med. Chem. Lett. 25, 4802-4807 10.1016/j.bmcl.2015.07.014
-
(2015)
Bioorg. Med. Chem. Lett.
, vol.25
, pp. 4802-4807
-
-
Stratton, C.F.1
Newman, D.J.2
Tan, D.S.3
-
169
-
-
70350409235
-
The impact of aromatic ring count on compound developability - Are too many aromatic rings a liability in drug design?
-
Ritchie, T. R. and Macdonald, S. J. F. (2009) The impact of aromatic ring count on compound developability-are too many aromatic rings a liability in drug design? Drug Discovery Today 14, 1011-1020 10.1016/j.drudis.2009.07.014
-
(2009)
Drug Discovery Today
, vol.14
, pp. 1011-1020
-
-
Ritchie, T.R.1
Macdonald, S.J.F.2
-
170
-
-
79851514554
-
The impact of aromatic ring count on compound developability: Further insights by examining carbo- and hetero-aromatic and -aliphatic ring types
-
Ritchie, T. R., Macdonald, S. J. F., Young, R. J., and Pickett, S. D. (2011) The impact of aromatic ring count on compound developability: further insights by examining carbo- and hetero-aromatic and -aliphatic ring types Drug Discovery Today 16, 164-171 10.1016/j.drudis.2010.11.014
-
(2011)
Drug Discovery Today
, vol.16
, pp. 164-171
-
-
Ritchie, T.R.1
Macdonald, S.J.F.2
Young, R.J.3
Pickett, S.D.4
-
171
-
-
44049092515
-
Straightforward recursive partition model for discarding insoluble compounds in the drug discovery process
-
Lamanna, C., Bellini, M., Padova, A., Westerberg, G., and Maccari, L. (2008) Straightforward recursive partition model for discarding insoluble compounds in the drug discovery process J. Med. Chem. 51, 2891-2897 10.1021/jm701407x
-
(2008)
J. Med. Chem.
, vol.51
, pp. 2891-2897
-
-
Lamanna, C.1
Bellini, M.2
Padova, A.3
Westerberg, G.4
Maccari, L.5
-
172
-
-
84890097215
-
Impact of physicochemical profiling for rational approach to drug discovery
-
Nakashima, S., Yamamoto, K., Arai, Y., and Ikeda, Y. (2013) Impact of physicochemical profiling for rational approach to drug discovery Chem. Pharm. Bull. 61, 1228-1238 10.1248/cpb.c13-00436
-
(2013)
Chem. Pharm. Bull.
, vol.61
, pp. 1228-1238
-
-
Nakashima, S.1
Yamamoto, K.2
Arai, Y.3
Ikeda, Y.4
-
173
-
-
79952804851
-
Improvement in aqueous solubility in small molecule drug discovery programs by disruption of molecular planarity and symmetry
-
Ishikawa, M. and Hashimoto, Y. (2011) Improvement in aqueous solubility in small molecule drug discovery programs by disruption of molecular planarity and symmetry J. Med. Chem. 54, 1539-1554 10.1021/jm101356p
-
(2011)
J. Med. Chem.
, vol.54
, pp. 1539-1554
-
-
Ishikawa, M.1
Hashimoto, Y.2
-
174
-
-
84912015874
-
Novel tactics for designing water-soluble molecules in drug discovery
-
Walker, M. A. (2014) Novel tactics for designing water-soluble molecules in drug discovery Expert Opin. Drug Discovery 9, 1421-1433 10.1517/17460441.2014.960839
-
(2014)
Expert Opin. Drug Discovery
, vol.9
, pp. 1421-1433
-
-
Walker, M.A.1
-
175
-
-
84907168648
-
Physicochemical descriptors of aromatic character and their use in drug discovery
-
Ritchie, T. J. and Macdonald, S. J. (2014) Physicochemical descriptors of aromatic character and their use in drug discovery J. Med. Chem. 57, 7206-7215 10.1021/jm500515d
-
(2014)
J. Med. Chem.
, vol.57
, pp. 7206-7215
-
-
Ritchie, T.J.1
Macdonald, S.J.2
-
176
-
-
79957698619
-
The medicinal chemist's toolbox: An analysis of reactions used in the pursuit of drug candidates
-
Roughley, S. D. and Jordan, A. M. (2011) The medicinal chemist's toolbox: an analysis of reactions used in the pursuit of drug candidates J. Med. Chem. 54, 3451-3479 10.1021/jm200187y
-
(2011)
J. Med. Chem.
, vol.54
, pp. 3451-3479
-
-
Roughley, S.D.1
Jordan, A.M.2
-
177
-
-
84898721607
-
Rings in drugs
-
Taylor, R. D., MacCoss, M., and Lawson, A. D. (2014) Rings in drugs J. Med. Chem. 57, 5845-5859 10.1021/jm4017625
-
(2014)
J. Med. Chem.
, vol.57
, pp. 5845-5859
-
-
Taylor, R.D.1
MacCoss, M.2
Lawson, A.D.3
-
178
-
-
84969617464
-
An analysis of past and present synthetic methodologies on medicinal chemistry: Where have all the new reactions gone?
-
Brown, D. G. and Boström, J. (2015) An analysis of past and present synthetic methodologies on medicinal chemistry: where have all the new reactions gone? J. Med. Chem. 10.1021/acs.jmedchem.5b01409
-
(2015)
J. Med. Chem.
-
-
Brown, D.G.1
Boström, J.2
-
179
-
-
84922629203
-
Transition metal catalyzed meta-C-H functionalization of aromatic compounds
-
Yang, J. (2015) Transition metal catalyzed meta-C-H functionalization of aromatic compounds Org. Biomol. Chem. 13, 1930-1941 10.1039/C4OB02171A
-
(2015)
Org. Biomol. Chem.
, vol.13
, pp. 1930-1941
-
-
Yang, J.1
-
180
-
-
84863446276
-
Weak coordination as a powerful means for developing broadly useful C-H functionalization reactions
-
Engle, K. M., Mei, T. S., Wasa, M., and Yu, J.-Q. (2012) Weak coordination as a powerful means for developing broadly useful C-H functionalization reactions Acc. Chem. Res. 45, 788-802 10.1021/ar200185g
-
(2012)
Acc. Chem. Res.
, vol.45
, pp. 788-802
-
-
Engle, K.M.1
Mei, T.S.2
Wasa, M.3
Yu, J.-Q.4
-
181
-
-
84863451341
-
Controlling site selectivity in palladium-catalyzed C-H bond functionalization
-
Neufeldt, S. R. and Sanford, M. S. (2012) Controlling site selectivity in palladium-catalyzed C-H bond functionalization Acc. Chem. Res. 45, 936-946 10.1021/ar300014f
-
(2012)
Acc. Chem. Res.
, vol.45
, pp. 936-946
-
-
Neufeldt, S.R.1
Sanford, M.S.2
-
182
-
-
84948705270
-
Oxidative coupling between two hydrocarbons: An update of recent C-H functionalizations
-
Liu, C., Yuan, J., Gao, M., Tang, S., Li, W., Shi, R., and Lei, A. (2015) Oxidative coupling between two hydrocarbons: an update of recent C-H functionalizations Chem. Rev. 115, 12138-12204 10.1021/cr500431s
-
(2015)
Chem. Rev.
, vol.115
, pp. 12138-12204
-
-
Liu, C.1
Yuan, J.2
Gao, M.3
Tang, S.4
Li, W.5
Shi, R.6
Lei, A.7
-
185
-
-
84889850852
-
Recent trends in Pd-catalyzed remote functionalization of carbonyl compounds
-
Franzoni, I. and Mazet, C. (2014) Recent trends in Pd-catalyzed remote functionalization of carbonyl compounds Org. Biomol. Chem. 12, 233-241 10.1039/C3OB42050G
-
(2014)
Org. Biomol. Chem.
, vol.12
, pp. 233-241
-
-
Franzoni, I.1
Mazet, C.2
-
187
-
-
80054972215
-
3)-H bonds
-
3)-H bonds Chem. Soc. Rev. 40, 4902-4911 10.1039/c1cs15058h
-
(2011)
Chem. Soc. Rev.
, vol.40
, pp. 4902-4911
-
-
Baudoin, O.1
-
188
-
-
0029848429
-
Principal components describing biological activities and molecular diversity of heterocyclic aromatic ring fragments
-
Gibson, S., McGuire, R., and Rees, D. C. (1996) Principal components describing biological activities and molecular diversity of heterocyclic aromatic ring fragments J. Med. Chem. 39, 4065-4072 10.1021/jm960058h
-
(1996)
J. Med. Chem.
, vol.39
, pp. 4065-4072
-
-
Gibson, S.1
McGuire, R.2
Rees, D.C.3
-
189
-
-
84864997030
-
Pharmacological significance of synthetic heterocycles scaffold: A review
-
Dua, R., Shrivastava, S., Sonwane, S. K., and Srivastava, S. K. (2011) Pharmacological significance of synthetic heterocycles scaffold: a review Adv. Biol. Res. 5, 120-144
-
(2011)
Adv. Biol. Res.
, vol.5
, pp. 120-144
-
-
Dua, R.1
Shrivastava, S.2
Sonwane, S.K.3
Srivastava, S.K.4
-
190
-
-
84898999830
-
Two- and three-dimensional rings in drugs
-
Aldeghi, M., Malhotra, S., Selwood, D. L., and Chan, A. W. (2014) Two- and three-dimensional rings in drugs Chem. Biol. Drug Des. 83, 450-461 10.1111/cbdd.12260
-
(2014)
Chem. Biol. Drug Des.
, vol.83
, pp. 450-461
-
-
Aldeghi, M.1
Malhotra, S.2
Selwood, D.L.3
Chan, A.W.4
-
191
-
-
4344612574
-
Selection of heterocycles for drug design
-
Broughton, H. B. and Watson, I. A. (2004) Selection of heterocycles for drug design J. Mol. Graphics Modell. 23, 51-58 10.1016/j.jmgm.2004.03.016
-
(2004)
J. Mol. Graphics Modell.
, vol.23
, pp. 51-58
-
-
Broughton, H.B.1
Watson, I.A.2
-
192
-
-
84929384579
-
A survey of the role of noncovalent sulfur interactions in drug design
-
Beno, B. R., Yeung, K. S., Bartberger, M. D., Pennington, L. D., and Meanwell, N. A. (2015) A survey of the role of noncovalent sulfur interactions in drug design J. Med. Chem. 58, 4383-4438 10.1021/jm501853m
-
(2015)
J. Med. Chem.
, vol.58
, pp. 4383-4438
-
-
Beno, B.R.1
Yeung, K.S.2
Bartberger, M.D.3
Pennington, L.D.4
Meanwell, N.A.5
-
193
-
-
0025995750
-
Isosterism and bioisosterism in drug design
-
Burger, A. (1991) Isosterism and bioisosterism in drug design Prog. Drug Res. 37, 287-371 10.1007/978-3-0348-7139-6-7
-
(1991)
Prog. Drug Res.
, vol.37
, pp. 287-371
-
-
Burger, A.1
-
194
-
-
7744243992
-
Bioisosterism: A rational approach in drug design
-
Patani, G. A. and LaVoie, E. J. (1996) Bioisosterism: a rational approach in drug design Chem. Rev. 96, 3147-3176 10.1021/cr950066q
-
(1996)
Chem. Rev.
, vol.96
, pp. 3147-3176
-
-
Patani, G.A.1
LaVoie, E.J.2
-
195
-
-
79955419410
-
Synopsis of some recent tactical application of bioisosteres in drug design
-
Meanwell, N. A. (2011) Synopsis of some recent tactical application of bioisosteres in drug design J. Med. Chem. 54, 2529-2591 10.1021/jm1013693
-
(2011)
J. Med. Chem.
, vol.54
, pp. 2529-2591
-
-
Meanwell, N.A.1
-
196
-
-
84865491027
-
The developability of heteroaromatic and heteroaliphatic rings - Do some have a better pedigree as potential drug molecules than others?
-
Ritchie, T. J., Macdonald, S. J. F., Peace, S., Pickett, S. D., and Luscombe, C. N. (2012) The developability of heteroaromatic and heteroaliphatic rings-do some have a better pedigree as potential drug molecules than others? MedChemComm 3, 1062-1069 10.1039/c2md20111a
-
(2012)
MedChemComm
, vol.3
, pp. 1062-1069
-
-
Ritchie, T.J.1
Macdonald, S.J.F.2
Peace, S.3
Pickett, S.D.4
Luscombe, C.N.5
-
197
-
-
84858015797
-
Oxadiazoles in medicinal chemistry
-
Boström, J., Hogner, A., Llinàs, A., Wellner, E., and Plowright, A. T. (2012) Oxadiazoles in medicinal chemistry J. Med. Chem. 55, 1817-1830 10.1021/jm2013248
-
(2012)
J. Med. Chem.
, vol.55
, pp. 1817-1830
-
-
Boström, J.1
Hogner, A.2
Llinàs, A.3
Wellner, E.4
Plowright, A.T.5
-
198
-
-
84860429692
-
Oxadiazole isomers: All bioisosteres are not created equal
-
Goldberg, K., Groombridge, S., Hudson, J., Leach, A. G., MacFaul, P. A., Pickup, A., Ruth Poultney, R., Scott, J. S., Svensson, P. H., and Sweeney, J. (2012) Oxadiazole isomers: all bioisosteres are not created equal MedChemComm 3, 600-604 10.1039/c2md20054f
-
(2012)
MedChemComm
, vol.3
, pp. 600-604
-
-
Goldberg, K.1
Groombridge, S.2
Hudson, J.3
Leach, A.G.4
MacFaul, P.A.5
Pickup, A.6
Ruth Poultney, R.7
Scott, J.S.8
Svensson, P.H.9
Sweeney, J.10
-
199
-
-
84962185125
-
Discovery of (3-(4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2- yl)methanone (AZD1979), a melanin concentrating hormone receptor 1 (MCHr1) antagonist with favourable physicochemical properties
-
Johansson, A., Löfberg, C., Antonsson, M., von Unge, S., Hayes, M., Judkins, R., Ploj, K., Benthem, L., Lindén, D., Brodin, P., Wennerberg, M., Fredenwall, M., Li, L., Persson, J., Bergman, R., Pettersen, A., Gennemark, P., and Hogner, A. (2016) Discovery of (3-(4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2- yl)methanone (AZD1979), a melanin concentrating hormone receptor 1 (MCHr1) antagonist with favourable physicochemical properties J. Med. Chem. 10.1021/acs.jmedchem.5b01654
-
(2016)
J. Med. Chem.
-
-
Johansson, A.1
Löfberg, C.2
Antonsson, M.3
Von Unge, S.4
Hayes, M.5
Judkins, R.6
Ploj, K.7
Benthem, L.8
Lindén, D.9
Brodin, P.10
Wennerberg, M.11
Fredenwall, M.12
Li, L.13
Persson, J.14
Bergman, R.15
Pettersen, A.16
Gennemark, P.17
Hogner, A.18
-
200
-
-
84874311050
-
Efficient stacking on protein amide fragments
-
Harder, M., Kuhn, B., and Diederich, F. (2013) Efficient stacking on protein amide fragments ChemMedChem 8, 397-404 10.1002/cmdc.201200512
-
(2013)
ChemMedChem
, vol.8
, pp. 397-404
-
-
Harder, M.1
Kuhn, B.2
Diederich, F.3
-
201
-
-
67650763061
-
The pKBHX database: Toward a better understanding of hydrogen-bond basicity for medicinal chemists
-
Laurence, C., Brameld, K. A., Graton, J., Le Questel, J.-Y., and Renault, E. (2009) The pKBHX database: toward a better understanding of hydrogen-bond basicity for medicinal chemists J. Med. Chem. 52, 4073-4086 10.1021/jm801331y
-
(2009)
J. Med. Chem.
, vol.52
, pp. 4073-4086
-
-
Laurence, C.1
Brameld, K.A.2
Graton, J.3
Le Questel, J.-Y.4
Renault, E.5
-
202
-
-
37049068888
-
Hydrogen bonding. Part 9. Solute proton donor and proton acceptor scales for use in drug design
-
Abraham, M. H., Duce, P. P., and Prior, D. V. (1989) Hydrogen bonding. Part 9. Solute proton donor and proton acceptor scales for use in drug design J. Chem. Soc., Perkin Trans. 2 2, 1355-1375 10.1039/p29890001355
-
(1989)
J. Chem. Soc., Perkin Trans. 2
, vol.2
, pp. 1355-1375
-
-
Abraham, M.H.1
Duce, P.P.2
Prior, D.V.3
-
203
-
-
79960228477
-
Quantitatively interpreted enhanced inhibition of cytochrome P450s by heteroaromatic rings containing nitrogen
-
Leach, A. G. and Kidley, N. J. (2011) Quantitatively interpreted enhanced inhibition of cytochrome P450s by heteroaromatic rings containing nitrogen J. Chem. Inf. Model. 51, 1048-1063 10.1021/ci2000506
-
(2011)
J. Chem. Inf. Model.
, vol.51
, pp. 1048-1063
-
-
Leach, A.G.1
Kidley, N.J.2
-
204
-
-
80053601542
-
Are pyridazines privileged structures?
-
Wermuth, C. G. (2011) Are pyridazines privileged structures? MedChemComm 2, 935-941 10.1039/c1md00074h
-
(2011)
MedChemComm
, vol.2
, pp. 935-941
-
-
Wermuth, C.G.1
-
205
-
-
84863856481
-
Mitigating heterocycle metabolism in drug discovery
-
St. Jean, D. J., Jr. and Fotsch, C. (2012) Mitigating heterocycle metabolism in drug discovery J. Med. Chem. 55, 6002-6020 10.1021/jm300343m
-
(2012)
J. Med. Chem.
, vol.55
, pp. 6002-6020
-
-
St. Jean, D.J.1
Fotsch, C.2
-
206
-
-
84920194283
-
Analysis of the structural diversity, substitution patterns, and frequency of nitrogen heterocycles among U.S. FDA approved pharmaceuticals
-
Vitaku, E., Smith, D. T., and Njardarson, J. T. (2014) Analysis of the structural diversity, substitution patterns, and frequency of nitrogen heterocycles among U.S. FDA approved pharmaceuticals J. Med. Chem. 57, 10257-10274 10.1021/jm501100b
-
(2014)
J. Med. Chem.
, vol.57
, pp. 10257-10274
-
-
Vitaku, E.1
Smith, D.T.2
Njardarson, J.T.3
-
207
-
-
84858853853
-
Idiosyncratic reactions and metabolism of sulfur-containing drugs
-
Zuniga, F. I., Loi, D., Ling, K. H., and Tang-Liu, D. D. (2012) Idiosyncratic reactions and metabolism of sulfur-containing drugs Expert Opin. Drug Metab. Toxicol. 8, 467-485 10.1517/17425255.2012.668528
-
(2012)
Expert Opin. Drug Metab. Toxicol.
, vol.8
, pp. 467-485
-
-
Zuniga, F.I.1
Loi, D.2
Ling, K.H.3
Tang-Liu, D.D.4
-
208
-
-
84906254736
-
Bioactivation potential of thiophene-containing drugs
-
Gramec, D., Peterlin Mašič, L., and Sollner Dolenc, M. (2014) Bioactivation potential of thiophene-containing drugs Chem. Res. Toxicol. 27, 1344-1358 10.1021/tx500134g
-
(2014)
Chem. Res. Toxicol.
, vol.27
, pp. 1344-1358
-
-
Gramec, D.1
Peterlin Mašič, L.2
Sollner Dolenc, M.3
-
209
-
-
0036127307
-
Biotransformation reactions of five-membered aromatic heterocyclic rings
-
Dalvie, D. K., Kalgutkar, A. S., Khojasteh-Bakht, S. C., Obach, R. S., and O'Donnell, J. P. (2002) Biotransformation reactions of five-membered aromatic heterocyclic rings Chem. Res. Toxicol. 15, 269-299 10.1021/tx015574b
-
(2002)
Chem. Res. Toxicol.
, vol.15
, pp. 269-299
-
-
Dalvie, D.K.1
Kalgutkar, A.S.2
Khojasteh-Bakht, S.C.3
Obach, R.S.4
O'Donnell, J.P.5
-
210
-
-
19944399431
-
A comprehensive listing of bioactivation pathways of organic functional groups
-
Kalgutkar, A. S., Gardner, I., Obach, R. S., Shaffer, C. L., Callegari, E., Henne, K. R., Mutlib, A. E., Dalvie, D. K., Lee, J. S., Nakai, Y., O'Donnell, J. P., Boer, J., and Harriman, S. P. (2005) A comprehensive listing of bioactivation pathways of organic functional groups Curr. Drug Metab. 6, 161-225 10.2174/1389200054021799
-
(2005)
Curr. Drug Metab.
, vol.6
, pp. 161-225
-
-
Kalgutkar, A.S.1
Gardner, I.2
Obach, R.S.3
Shaffer, C.L.4
Callegari, E.5
Henne, K.R.6
Mutlib, A.E.7
Dalvie, D.K.8
Lee, J.S.9
Nakai, Y.10
O'Donnell, J.P.11
Boer, J.12
Harriman, S.P.13
-
211
-
-
84964600723
-
Reactive metabolites: Current and emerging risk and hazard assessments
-
Thompson, R. A., Isin, E. M., Ogese, M. O., Mettetal, J. T., and Williams, D. P. (2016) Reactive metabolites: current and emerging risk and hazard assessments Chem. Res. Toxicol. 10.1021/acs.chemrestox.5b00410
-
(2016)
Chem. Res. Toxicol.
-
-
Thompson, R.A.1
Isin, E.M.2
Ogese, M.O.3
Mettetal, J.T.4
Williams, D.P.5
-
212
-
-
84856201851
-
Quantifying the chemical beauty of drugs
-
Bickerton, G. R., Paolini, G. V., Besnard, J., Muresan, S., and Hopkins, A. L. (2012) Quantifying the chemical beauty of drugs Nat. Chem. 4, 90-98 10.1038/nchem.1243
-
(2012)
Nat. Chem.
, vol.4
, pp. 90-98
-
-
Bickerton, G.R.1
Paolini, G.V.2
Besnard, J.3
Muresan, S.4
Hopkins, A.L.5
-
213
-
-
84856204276
-
Drug discovery: Chemical beauty contest
-
Leeson, P. (2012) Drug discovery: chemical beauty contest Nature 481, 455-456 10.1038/481455a
-
(2012)
Nature
, vol.481
, pp. 455-456
-
-
Leeson, P.1
-
214
-
-
48049086591
-
Lessons learnt from assembling screening libraries for drug discovery for neglected diseases
-
Brenk, R., Schipani, A., James, D., Krasowski, A., Gilbert, I. H., Frearson, J., and Wyatt, P. G. (2008) Lessons learnt from assembling screening libraries for drug discovery for neglected diseases ChemMedChem 3, 435-444 10.1002/cmdc.200700139
-
(2008)
ChemMedChem
, vol.3
, pp. 435-444
-
-
Brenk, R.1
Schipani, A.2
James, D.3
Krasowski, A.4
Gilbert, I.H.5
Frearson, J.6
Wyatt, P.G.7
-
215
-
-
0037369622
-
Apparent mechanism-based inhibition of human CYP2D6 in vitro by paroxetine: Comparison with fluoxetine and quinidine
-
Bertelsen, K. M., Venkatakrishnan, K., Von Moltke, L. L., Obach, R. S., and Greenblatt, D. J. (2003) Apparent mechanism-based inhibition of human CYP2D6 in vitro by paroxetine: comparison with fluoxetine and quinidine Drug Metab. Dispos. 31, 289-293 10.1124/dmd.31.3.289
-
(2003)
Drug Metab. Dispos.
, vol.31
, pp. 289-293
-
-
Bertelsen, K.M.1
Venkatakrishnan, K.2
Von Moltke, L.L.3
Obach, R.S.4
Greenblatt, D.J.5
-
216
-
-
18844426008
-
In vitro-in vivo extrapolation of CYP2D6 inactivation by paroxetine: Prediction of nonstationary pharmacokinetics and drug interaction magnitude
-
Venkatakrishnan, K. and Obach, R. S. (2005) In vitro-in vivo extrapolation of CYP2D6 inactivation by paroxetine: prediction of nonstationary pharmacokinetics and drug interaction magnitude Drug Metab. Dispos. 33, 845-852 10.1124/dmd.105.004077
-
(2005)
Drug Metab. Dispos.
, vol.33
, pp. 845-852
-
-
Venkatakrishnan, K.1
Obach, R.S.2
-
217
-
-
37249018714
-
3H]paroxetine to human liver microsomes and S-9 fractions: Identification of an electrophilic quinone metabolite of paroxetine
-
3H]paroxetine to human liver microsomes and S-9 fractions: identification of an electrophilic quinone metabolite of paroxetine Chem. Res. Toxicol. 20, 1649-1657 10.1021/tx700132x
-
(2007)
Chem. Res. Toxicol.
, vol.20
, pp. 1649-1657
-
-
Zhao, S.X.1
Dalvie, D.K.2
Kelly, J.M.3
Soglia, J.R.4
Frederick, K.S.5
Smith, E.B.6
Obach, R.S.7
Kalgutkar, A.S.8
-
218
-
-
84869435029
-
Paroxetine is a direct inhibitor of G protein-coupled receptor kinase 2 and increases myocardial contractility
-
Thal, D. M., Homan, K. T., Chen, J., Wu, E. K., Hinkle, P. M., Huang, Z. M., Chuprun, J. K., Song, J., Gao, E., Cheung, J. Y., Sklar, L. A., Koch, W. J., and Tesmer, J. J. (2012) Paroxetine is a direct inhibitor of G protein-coupled receptor kinase 2 and increases myocardial contractility ACS Chem. Biol. 7, 1830-1839 10.1021/cb3003013
-
(2012)
ACS Chem. Biol.
, vol.7
, pp. 1830-1839
-
-
Thal, D.M.1
Homan, K.T.2
Chen, J.3
Wu, E.K.4
Hinkle, P.M.5
Huang, Z.M.6
Chuprun, J.K.7
Song, J.8
Gao, E.9
Cheung, J.Y.10
Sklar, L.A.11
Koch, W.J.12
Tesmer, J.J.13
-
220
-
-
1942435958
-
Leflunomide for the treatment of rheumatoid arthritis in clinical practice: Incidence and severity of hepatotoxicity
-
van Roon, E. N., Jansen, T. L., Houtman, N. M., Spoelstra, P., and Brouwers, J. R. (2004) Leflunomide for the treatment of rheumatoid arthritis in clinical practice: incidence and severity of hepatotoxicity Drug Saf. 27, 345-352 10.2165/00002018-200427050-00006
-
(2004)
Drug Saf.
, vol.27
, pp. 345-352
-
-
Van Roon, E.N.1
Jansen, T.L.2
Houtman, N.M.3
Spoelstra, P.4
Brouwers, J.R.5
-
221
-
-
70449722872
-
Benefit-risk assessment of leflunomide: An appraisal of leflunomide in rheumatoid arthritis 10 years after licensing
-
Alcorn, N., Saunders, S., and Madhok, R. (2009) Benefit-risk assessment of leflunomide: an appraisal of leflunomide in rheumatoid arthritis 10 years after licensing Drug Saf. 32, 1123-1134 10.2165/11316650-000000000-00000
-
(2009)
Drug Saf.
, vol.32
, pp. 1123-1134
-
-
Alcorn, N.1
Saunders, S.2
Madhok, R.3
-
222
-
-
78649922972
-
Drug-induced valvulopathy: An update
-
Elangbam, C. S. (2010) Drug-induced valvulopathy: an update Toxicol. Pathol. 38, 837-848 10.1177/0192623310378027
-
(2010)
Toxicol. Pathol.
, vol.38
, pp. 837-848
-
-
Elangbam, C.S.1
-
223
-
-
1542357574
-
The pharmacokinetics of pergolide in Parkinson's disease
-
Blin, O. (2003) The pharmacokinetics of pergolide in Parkinson's disease Curr. Opin. Neurol. 16 (Suppl. 1) S9-12 10.1097/00019052-200312001-00003
-
(2003)
Curr. Opin. Neurol.
, vol.16
, pp. S9-S12
-
-
Blin, O.1
-
224
-
-
84937212798
-
Synthesis of new 4-phenylpyrimidine-2(1 H)-thiones and their potency to inhibit COX-1 and COX-2
-
Seebacher, W., Faist, J., Presser, A., Weis, R., Saf, R., Kaserer, T., Temml, V., Schuster, D., Ortmann, S., Otto, N., and Bauer, R. (2015) Synthesis of new 4-phenylpyrimidine-2(1 H)-thiones and their potency to inhibit COX-1 and COX-2 Eur. J. Med. Chem. 101, 552-559 10.1016/j.ejmech.2015.07.003
-
(2015)
Eur. J. Med. Chem.
, vol.101
, pp. 552-559
-
-
Seebacher, W.1
Faist, J.2
Presser, A.3
Weis, R.4
Saf, R.5
Kaserer, T.6
Temml, V.7
Schuster, D.8
Ortmann, S.9
Otto, N.10
Bauer, R.11
-
225
-
-
84938495908
-
Molecular property design: Does everyone get it?
-
Leeson, P. D. and Young, R. J. (2015) Molecular property design: does everyone get it? ACS Med. Chem. Lett. 6, 722-725 10.1021/acsmedchemlett.5b00157
-
(2015)
ACS Med. Chem. Lett.
, vol.6
, pp. 722-725
-
-
Leeson, P.D.1
Young, R.J.2
-
226
-
-
34250745809
-
Compensating enthalpic and entropic changes hinder binding affinity optimization
-
Lafont, V., Armstrong, A. A., Ohtaka, H., Kiso, Y., Amzel, L. M., and Freire, E. (2007) Compensating enthalpic and entropic changes hinder binding affinity optimization Chem. Biol. Drug Des. 69, 413-422 10.1111/j.1747-0285.2007.00519.x
-
(2007)
Chem. Biol. Drug Des.
, vol.69
, pp. 413-422
-
-
Lafont, V.1
Armstrong, A.A.2
Ohtaka, H.3
Kiso, Y.4
Amzel, L.M.5
Freire, E.6
-
227
-
-
77957229353
-
Thermodynamics guided lead discovery and optimization
-
Ferenczy, G. G. and Keserũ, G. M. (2010) Thermodynamics guided lead discovery and optimization Drug Discovery Today 15, 919-932 10.1016/j.drudis.2010.08.013
-
(2010)
Drug Discovery Today
, vol.15
, pp. 919-932
-
-
Ferenczy, G.G.1
Keserũ, G.M.2
-
228
-
-
0041854716
-
Understanding binding affinity: A combined isothermal titration calorimetry/molecular dynamics study of the binding of a series of hydrophobically modified benzamidinium chloride inhibitors to trypsin
-
Talhout, R., Villa, A., Mark, A. E., and Engberts, J. B. (2003) Understanding binding affinity: a combined isothermal titration calorimetry/molecular dynamics study of the binding of a series of hydrophobically modified benzamidinium chloride inhibitors to trypsin J. Am. Chem. Soc. 125, 10570-10579 10.1021/ja034676g
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 10570-10579
-
-
Talhout, R.1
Villa, A.2
Mark, A.E.3
Engberts, J.B.4
-
229
-
-
84964628143
-
-
ACS Webinar, Jan 29, 2015
-
Leeson, P. D. (2015) Designing Better Drug Candidates, ACS Webinar, Jan 29, 2015, available at http://www.acs.org/content/dam/acsorg/events/business-entrepreneurship/Slides/2015-01-29-dd1.pdf.
-
(2015)
Designing Better Drug Candidates
-
-
Leeson, P.D.1
-
230
-
-
27744548649
-
The discovery of the CCR5 receptor antagonist, UK-427,857, a new agent for the treatment of HIV infection and AIDS
-
Wood, A. and Armour, D. (2005) The discovery of the CCR5 receptor antagonist, UK-427,857, a new agent for the treatment of HIV infection and AIDS Prog. Med. Chem. 43, 239-271 10.1016/S0079-6468(05)43007-6
-
(2005)
Prog. Med. Chem.
, vol.43
, pp. 239-271
-
-
Wood, A.1
Armour, D.2
-
231
-
-
33746233345
-
Overcoming HERG affinity in the discovery of the CCR5 antagonist maraviroc
-
Price, D. A., Armour, D., de Groot, M., Leishman, D., Napier, C., Perros, M., Stammen, B. L., and Wood, A. (2006) Overcoming HERG affinity in the discovery of the CCR5 antagonist maraviroc Bioorg. Med. Chem. Lett. 16, 4633-4637 10.1016/j.bmcl.2006.06.012
-
(2006)
Bioorg. Med. Chem. Lett.
, vol.16
, pp. 4633-4637
-
-
Price, D.A.1
Armour, D.2
De Groot, M.3
Leishman, D.4
Napier, C.5
Perros, M.6
Stammen, B.L.7
Wood, A.8
-
232
-
-
84884673669
-
Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex
-
Tan, Q., Zhu, Y., Li, J., Chen, Z., Han, G. W., Kufareva, I., Li, T., Ma, L., Fenalti, G., Li, J., Zhang, W., Xie, X., Yang, H., Jiang, H., Cherezov, V., Liu, H., Stevens, R. C., Zhao, Q., and Wu, B. (2013) Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex Science 341, 1387-1390 10.1126/science.1241475
-
(2013)
Science
, vol.341
, pp. 1387-1390
-
-
Tan, Q.1
Zhu, Y.2
Li, J.3
Chen, Z.4
Han, G.W.5
Kufareva, I.6
Li, T.7
Ma, L.8
Fenalti, G.9
Li, J.10
Zhang, W.11
Xie, X.12
Yang, H.13
Jiang, H.14
Cherezov, V.15
Liu, H.16
Stevens, R.C.17
Zhao, Q.18
Wu, B.19
-
233
-
-
84892615575
-
Update on the discovery and development of cholesteryl ester transfer protein inhibitors for reducing residual cardiovascular risk
-
Mantlo, N. B. and Escribano, A. (2014) Update on the discovery and development of cholesteryl ester transfer protein inhibitors for reducing residual cardiovascular risk J. Med. Chem. 57, 1-17 10.1021/jm400574e
-
(2014)
J. Med. Chem.
, vol.57
, pp. 1-17
-
-
Mantlo, N.B.1
Escribano, A.2
-
234
-
-
84923775095
-
Potent cholesteryl ester transfer protein inhibitors of reduced lipophilicity: 1,1′-Spiro-substituted hexahydrofuroquinoline derivatives
-
Trieselmann, T., Wagner, H., Fuchs, K., Hamprecht, D., Berta, D., Cremonesi, P., Streicher, R., Luippold, G., Volz, A., Markert, M., and Nar, H. (2014) Potent cholesteryl ester transfer protein inhibitors of reduced lipophilicity: 1,1′-spiro-substituted hexahydrofuroquinoline derivatives J. Med. Chem. 57, 8766-8776 10.1021/jm500431d
-
(2014)
J. Med. Chem.
, vol.57
, pp. 8766-8776
-
-
Trieselmann, T.1
Wagner, H.2
Fuchs, K.3
Hamprecht, D.4
Berta, D.5
Cremonesi, P.6
Streicher, R.7
Luippold, G.8
Volz, A.9
Markert, M.10
Nar, H.11
-
235
-
-
76649087963
-
Novel tetrahydrochinoline derived CETP inhibitors
-
Schmeck, C., Gielen-Haertwig, H., Vakalopoulos, A., Bischoff, H., Li, V., Wirtz, G., and Weber, O. (2010) Novel tetrahydrochinoline derived CETP inhibitors Bioorg. Med. Chem. Lett. 20, 1740-1743 10.1016/j.bmcl.2010.01.071
-
(2010)
Bioorg. Med. Chem. Lett.
, vol.20
, pp. 1740-1743
-
-
Schmeck, C.1
Gielen-Haertwig, H.2
Vakalopoulos, A.3
Bischoff, H.4
Li, V.5
Wirtz, G.6
Weber, O.7
-
236
-
-
84868256894
-
Crystal structures of cholesteryl ester transfer protein in complex with inhibitors
-
Liu, S., Mistry, A., Reynolds, J. M., Lloyd, D. B., Griffor, M. C., Perry, D. A., Ruggeri, R. B., Clark, R. W., and Qiu, X. (2012) Crystal structures of cholesteryl ester transfer protein in complex with inhibitors J. Biol. Chem. 287, 37321-37329 10.1074/jbc.M112.380063
-
(2012)
J. Biol. Chem.
, vol.287
, pp. 37321-37329
-
-
Liu, S.1
Mistry, A.2
Reynolds, J.M.3
Lloyd, D.B.4
Griffor, M.C.5
Perry, D.A.6
Ruggeri, R.B.7
Clark, R.W.8
Qiu, X.9
-
237
-
-
84856397312
-
Maximizing lipophilic efficiency: The use of Free-Wilson analysis in the design of inhibitors of acetyl-CoA carboxylase
-
Freeman-Cook, K. D., Amor, P., Bader, S., Buzon, L. M., Coffey, S. B., Corbett, J. W., Dirico, K. J., Doran, S. D., Elliott, R. L., Esler, W., Guzman-Perez, A., Henegar, K. E., Houser, J. A., Jones, C. S., Limberakis, C., Loomis, K., McPherson, K., Murdande, S., Nelson, K. L., Phillion, D., Pierce, B. S., Song, W., Sugarman, E., Tapley, S., Tu, M., and Zhao, Z. (2012) Maximizing lipophilic efficiency: the use of Free-Wilson analysis in the design of inhibitors of acetyl-CoA carboxylase J. Med. Chem. 55, 935-942 10.1021/jm201503u
-
(2012)
J. Med. Chem.
, vol.55
, pp. 935-942
-
-
Freeman-Cook, K.D.1
Amor, P.2
Bader, S.3
Buzon, L.M.4
Coffey, S.B.5
Corbett, J.W.6
Dirico, K.J.7
Doran, S.D.8
Elliott, R.L.9
Esler, W.10
Guzman-Perez, A.11
Henegar, K.E.12
Houser, J.A.13
Jones, C.S.14
Limberakis, C.15
Loomis, K.16
McPherson, K.17
Murdande, S.18
Nelson, K.L.19
Phillion, D.20
Pierce, B.S.21
Song, W.22
Sugarman, E.23
Tapley, S.24
Tu, M.25
Zhao, Z.26
more..
-
238
-
-
84921525633
-
Recent advances in the development of acetyl-CoA carboxylase (ACC) inhibitors for the treatment of metabolic disease
-
Bourbeau, M. P. and Bartberger, M. D. (2015) Recent advances in the development of acetyl-CoA carboxylase (ACC) inhibitors for the treatment of metabolic disease J. Med. Chem. 58, 525-536 10.1021/jm500695e
-
(2015)
J. Med. Chem.
, vol.58
, pp. 525-536
-
-
Bourbeau, M.P.1
Bartberger, M.D.2
-
239
-
-
0023780482
-
Free Wilson analysis. Theory, applications and its relationship to Hansch analysis
-
Kubinyi, H. (1988) Free Wilson analysis. Theory, applications and its relationship to Hansch analysis Quant. Struct.-Act. Relat. 7, 121-133 10.1002/qsar.19880070303
-
(1988)
Quant. Struct.-Act. Relat.
, vol.7
, pp. 121-133
-
-
Kubinyi, H.1
-
240
-
-
84884231101
-
Spirolactam-based acetylCoA carboxylase inhibitors: Toward improved metabolic stability of a chromanone lead structure
-
Griffith, D. A., Dow, R. L., Huard, K., Edmonds, D. J., Bagley, S. W., Polivkova, J., Zeng, D., Garcia-Irizarry, C. N., Southers, J. A., Esler, W., Amor, P., Loomis, K., McPherson, K., Bahnck, K. B., Preville, C., Banks, T., Moore, D. E., Mathiowetz, A. M., Menhaji-Klotz, E., Smith, A. C., Doran, S. D., Beebe, D. A., and Dunn, M. F. (2013) Spirolactam-based acetylCoA carboxylase inhibitors: toward improved metabolic stability of a chromanone lead structure J. Med. Chem. 56, 7110-7119 10.1021/jm401033t
-
(2013)
J. Med. Chem.
, vol.56
, pp. 7110-7119
-
-
Griffith, D.A.1
Dow, R.L.2
Huard, K.3
Edmonds, D.J.4
Bagley, S.W.5
Polivkova, J.6
Zeng, D.7
Garcia-Irizarry, C.N.8
Southers, J.A.9
Esler, W.10
Amor, P.11
Loomis, K.12
McPherson, K.13
Bahnck, K.B.14
Preville, C.15
Banks, T.16
Moore, D.E.17
Mathiowetz, A.M.18
Menhaji-Klotz, E.19
Smith, A.C.20
Doran, S.D.21
Beebe, D.A.22
Dunn, M.F.23
more..
-
241
-
-
69949108856
-
Pyrazole NNRTIs 3: Optimization of physicochemical properties
-
Mowbray, C. E., Corbau, R., Hawes, M., Jones, L. H., Mills, J. E., Perros, M., Selby, M. D., Stupple, P. A., Webster, R., and Wood, A. (2009) Pyrazole NNRTIs 3: optimization of physicochemical properties Bioorg. Med. Chem. Lett. 19, 5603-5606 10.1016/j.bmcl.2009.08.043
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, pp. 5603-5606
-
-
Mowbray, C.E.1
Corbau, R.2
Hawes, M.3
Jones, L.H.4
Mills, J.E.5
Perros, M.6
Selby, M.D.7
Stupple, P.A.8
Webster, R.9
Wood, A.10
-
242
-
-
70349214797
-
Pyrazole NNRTIs 4: Selection of UK-453,061 (lersivirine) as a development candidate
-
Mowbray, C. E., Burt, C., Corbau, R., Gayton, S., Hawes, M., Perros, M., Tran, I., Price, D. A., Quinton, F. J., Selby, M. D., Stupple, P. A., Webster, R., and Wood, A. (2009) Pyrazole NNRTIs 4: selection of UK-453,061 (lersivirine) as a development candidate Bioorg. Med. Chem. Lett. 19, 5857-5860 10.1016/j.bmcl.2009.08.080
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, pp. 5857-5860
-
-
Mowbray, C.E.1
Burt, C.2
Corbau, R.3
Gayton, S.4
Hawes, M.5
Perros, M.6
Tran, I.7
Price, D.A.8
Quinton, F.J.9
Selby, M.D.10
Stupple, P.A.11
Webster, R.12
Wood, A.13
-
243
-
-
77957370457
-
Lersivirine, a nonnucleoside reverse transcriptase inhibitor with activity against drug-resistant human immunodeficiency virus type 1
-
Corbau, R., Mori, J., Phillips, C., Fishburn, L., Martin, A., Mowbray, C., Panton, W., Smith-Burchnell, C., Thornberry, A., Ringrose, H., Knöchel, T., Irving, S., Westby, M., Wood, A., and Perros, M. (2010) Lersivirine, a nonnucleoside reverse transcriptase inhibitor with activity against drug-resistant human immunodeficiency virus type 1 Antimicrob. Agents Chemother. 54, 4451-4463 10.1128/AAC.01455-09
-
(2010)
Antimicrob. Agents Chemother.
, vol.54
, pp. 4451-4463
-
-
Corbau, R.1
Mori, J.2
Phillips, C.3
Fishburn, L.4
Martin, A.5
Mowbray, C.6
Panton, W.7
Smith-Burchnell, C.8
Thornberry, A.9
Ringrose, H.10
Knöchel, T.11
Irving, S.12
Westby, M.13
Wood, A.14
Perros, M.15
-
244
-
-
77950922576
-
Activity, pharmacokinetics and safety of lersivirine (UK-453,061), a next-generation nonnucleoside reverse transcriptase inhibitor, during 7-day monotherapy in HIV-1 infected patients
-
Fätkenheuer, G., Staszewski, S., Plettenburg, A., Hackman, F., Layton, G., McFadyen, L., Davis, J., and Jenkins, T. M. (2009) Activity, pharmacokinetics and safety of lersivirine (UK-453,061), a next-generation nonnucleoside reverse transcriptase inhibitor, during 7-day monotherapy in HIV-1 infected patients AIDS 23, 2115-2122 10.1097/QAD.0b013e32832fef5b
-
(2009)
AIDS
, vol.23
, pp. 2115-2122
-
-
Fätkenheuer, G.1
Staszewski, S.2
Plettenburg, A.3
Hackman, F.4
Layton, G.5
McFadyen, L.6
Davis, J.7
Jenkins, T.M.8
-
245
-
-
84948693706
-
Noncovalent mutant selective epidermal growth factor receptor inhibitors: A lead optimization case study
-
Heald, R., Bowman, K. K., Bryan, M. C., Burdick, D., Chan, B., Chan, E., Chen, Y., Clausen, S., Dominguez-Fernandez, B., Eigenbrot, C., Elliott, R., Hanan, E. J., Jackson, P., Knight, J., La, H., Lainchbury, M., Malek, S., Mann, S., Merchant, M., Mortara, K., Purkey, H., Schaefer, G., Schmidt, S., Seward, E., Sideris, S., Shao, L., Wang, S., Yeap, K., Yen, I., Yu, C., and Heffron, T. P. (2015) Noncovalent mutant selective epidermal growth factor receptor inhibitors: a lead optimization case study J. Med. Chem. 58, 8877-8895 10.1021/acs.jmedchem.5b01412
-
(2015)
J. Med. Chem.
, vol.58
, pp. 8877-8895
-
-
Heald, R.1
Bowman, K.K.2
Bryan, M.C.3
Burdick, D.4
Chan, B.5
Chan, E.6
Chen, Y.7
Clausen, S.8
Dominguez-Fernandez, B.9
Eigenbrot, C.10
Elliott, R.11
Hanan, E.J.12
Jackson, P.13
Knight, J.14
La, H.15
Lainchbury, M.16
Malek, S.17
Mann, S.18
Merchant, M.19
Mortara, K.20
Purkey, H.21
Schaefer, G.22
Schmidt, S.23
Seward, E.24
Sideris, S.25
Shao, L.26
Wang, S.27
Yeap, K.28
Yen, I.29
Yu, C.30
Heffron, T.P.31
more..
-
246
-
-
84955452804
-
Optimizing ligand efficiency of selective androgen receptor modulators (SARMs)
-
Handlon, A. L., Schaller, L. T., Leesnitzer, L. M., Merrihew, R. V., Poole, C., Ulrich, J. C., Wilson, J. W., Cadilla, R., and Turnbull, P. (2016) Optimizing ligand efficiency of selective androgen receptor modulators (SARMs) ACS Med. Chem. Lett. 7, 83-88 10.1021/acsmedchemlett.5b00377
-
(2016)
ACS Med. Chem. Lett.
, vol.7
, pp. 83-88
-
-
Handlon, A.L.1
Schaller, L.T.2
Leesnitzer, L.M.3
Merrihew, R.V.4
Poole, C.5
Ulrich, J.C.6
Wilson, J.W.7
Cadilla, R.8
Turnbull, P.9
-
247
-
-
84958977075
-
Structure and property guided design in the identification of PRMT5 tool compound EPZ015666
-
Duncan, K. W., Rioux, N., Boriack-Sjodin, P. A., Munchhof, M. J., Reiter, L. A., Majer, C. R., Jin, L., Johnston, L. D., Chan-Penebre, E., Kuplast, K. G., Porter Scott, M., Pollock, R. M., Waters, N. J., Smith, J. J., Moyer, M. P., Copeland, R. A., and Chesworth, R. (2016) Structure and property guided design in the identification of PRMT5 tool compound EPZ015666 ACS Med. Chem. Lett. 7, 162-166 10.1021/acsmedchemlett.5b00380
-
(2016)
ACS Med. Chem. Lett.
, vol.7
, pp. 162-166
-
-
Duncan, K.W.1
Rioux, N.2
Boriack-Sjodin, P.A.3
Munchhof, M.J.4
Reiter, L.A.5
Majer, C.R.6
Jin, L.7
Johnston, L.D.8
Chan-Penebre, E.9
Kuplast, K.G.10
Porter Scott, M.11
Pollock, R.M.12
Waters, N.J.13
Smith, J.J.14
Moyer, M.P.15
Copeland, R.A.16
Chesworth, R.17
-
248
-
-
84956584406
-
Species differences in metabolism of EPZ015666, an oxetane-containing protein arginine methyltransferase-5 (PRMT5) inhibitor
-
Rioux, N., Duncan, K. W., Lantz, R. J., Miao, X., Chan-Penebre, E., Moyer, M. P., Munchhof, M. J., Copeland, R. A., Chesworth, R., and Waters, N. J. (2016) Species differences in metabolism of EPZ015666, an oxetane-containing protein arginine methyltransferase-5 (PRMT5) inhibitor Xenobiotica 46, 268-277 10.3109/00498254.2015.1072253
-
(2016)
Xenobiotica
, vol.46
, pp. 268-277
-
-
Rioux, N.1
Duncan, K.W.2
Lantz, R.J.3
Miao, X.4
Chan-Penebre, E.5
Moyer, M.P.6
Munchhof, M.J.7
Copeland, R.A.8
Chesworth, R.9
Waters, N.J.10
-
249
-
-
84922752398
-
Aza follow-ups to BI 207524, a thumb pocket 1 HCV NS5B polymerase inhibitor. Part 1: Mitigating the genotoxic liability of an aniline metabolite
-
Beaulieu, P. L., Bolger, G., Duplessis, M., Gagnon, A., Garneau, M., Stammers, T., Kukolj, G., and Duan, J. (2015) Aza follow-ups to BI 207524, a thumb pocket 1 HCV NS5B polymerase inhibitor. Part 1: mitigating the genotoxic liability of an aniline metabolite Bioorg. Med. Chem. Lett. 25, 1135-1139 10.1016/j.bmcl.2014.12.028
-
(2015)
Bioorg. Med. Chem. Lett.
, vol.25
, pp. 1135-1139
-
-
Beaulieu, P.L.1
Bolger, G.2
Duplessis, M.3
Gagnon, A.4
Garneau, M.5
Stammers, T.6
Kukolj, G.7
Duan, J.8
-
250
-
-
84922733798
-
Multi-parameter optimization of aza-follow-ups to BI 207524, a thumb pocket 1 HCV NS5B polymerase inhibitor. Part 2: Impact of lipophilicity on promiscuity and in vivo toxicity
-
Beaulieu, P. L., Bolger, G., Deon, D., Duplessis, M., Fazal, G., Gagnon, A., Garneau, M., LaPlante, S., Stammers, T., Kukolj, G., and Duan, J. (2015) Multi-parameter optimization of aza-follow-ups to BI 207524, a thumb pocket 1 HCV NS5B polymerase inhibitor. Part 2: Impact of lipophilicity on promiscuity and in vivo toxicity Bioorg. Med. Chem. Lett. 25, 1140-1145 10.1016/j.bmcl.2014.12.078
-
(2015)
Bioorg. Med. Chem. Lett.
, vol.25
, pp. 1140-1145
-
-
Beaulieu, P.L.1
Bolger, G.2
Deon, D.3
Duplessis, M.4
Fazal, G.5
Gagnon, A.6
Garneau, M.7
LaPlante, S.8
Stammers, T.9
Kukolj, G.10
Duan, J.11
-
251
-
-
84884230698
-
Evaluating the differences in cycloalkyl ether metabolism using the design parameter "lipophilic metabolism efficiency" (LipMetE) and a matched molecular pairs analysis
-
Stepan, A. F., Kauffman, G. W., Keefer, C. E., Verhoest, P. R., and Edwards, M. (2013) Evaluating the differences in cycloalkyl ether metabolism using the design parameter "lipophilic metabolism efficiency" (LipMetE) and a matched molecular pairs analysis J. Med. Chem. 56, 6985-6990 10.1021/jm4008642
-
(2013)
J. Med. Chem.
, vol.56
, pp. 6985-6990
-
-
Stepan, A.F.1
Kauffman, G.W.2
Keefer, C.E.3
Verhoest, P.R.4
Edwards, M.5
-
252
-
-
84929309797
-
Design of pyridopyrazine-1,6-dione γ-secretase modulators that align potency, MDR efflux ratio, and metabolic stability
-
Pettersson, M., Johnson, D. S., Humphrey, J. M., Butler, T. W., Am Ende, C. W., Fish, B. A., Green, M. E., Kauffman, G. W., Mullins, P. B., O'Donnell, C. J., Stepan, A. F., Stiff, C. M., Subramanyam, C., Tran, T. P., Vetelino, B. C., Yang, E., Xie, L., Bales, K. R., Pustilnik, L. R., Steyn, S. J., Wood, K. M., and Verhoest, P. R. (2015) Design of pyridopyrazine-1,6-dione γ-secretase modulators that align potency, MDR efflux ratio, and metabolic stability ACS Med. Chem. Lett. 6, 596-601 10.1021/acsmedchemlett.5b00070
-
(2015)
ACS Med. Chem. Lett.
, vol.6
, pp. 596-601
-
-
Pettersson, M.1
Johnson, D.S.2
Humphrey, J.M.3
Butler, T.W.4
Am Ende, C.W.5
Fish, B.A.6
Green, M.E.7
Kauffman, G.W.8
Mullins, P.B.9
O'Donnell, C.J.10
Stepan, A.F.11
Stiff, C.M.12
Subramanyam, C.13
Tran, T.P.14
Vetelino, B.C.15
Yang, E.16
Xie, L.17
Bales, K.R.18
Pustilnik, L.R.19
Steyn, S.J.20
Wood, K.M.21
Verhoest, P.R.22
more..
-
253
-
-
84878845602
-
The development of CNS-active LRRK2 inhibitors using property-directed optimization
-
Kavanagh, M. E., Doddareddy, M. R., and Kassiou, M. (2013) The development of CNS-active LRRK2 inhibitors using property-directed optimization Bioorg. Med. Chem. Lett. 23, 3690-3696 10.1016/j.bmcl.2013.04.086
-
(2013)
Bioorg. Med. Chem. Lett.
, vol.23
, pp. 3690-3696
-
-
Kavanagh, M.E.1
Doddareddy, M.R.2
Kassiou, M.3
-
254
-
-
84872310370
-
Discovery of a highly selective, brain-penetrant aminopyrazole LRRK2 inhibitor
-
Chan, B. K., Estrada, A. A., Chen, H., Atherall, J., Baker-Glenn, C., Beresford, A., Burdick, D. J., Chambers, M., Dominguez, S. L., Drummond, J., Gill, A., Kleinheinz, T., Le Pichon, C. E., Medhurst, A. D., Liu, X., Moffat, J. G., Nash, K., Scearce-Levie, K., Sheng, Z., Shore, D. G., Van de Poël, H., Zhang, S., Zhu, H., and Sweeney, Z. K. (2013) Discovery of a highly selective, brain-penetrant aminopyrazole LRRK2 inhibitor ACS Med. Chem. Lett. 4, 85-90 10.1021/ml3003007
-
(2013)
ACS Med. Chem. Lett.
, vol.4
, pp. 85-90
-
-
Chan, B.K.1
Estrada, A.A.2
Chen, H.3
Atherall, J.4
Baker-Glenn, C.5
Beresford, A.6
Burdick, D.J.7
Chambers, M.8
Dominguez, S.L.9
Drummond, J.10
Gill, A.11
Kleinheinz, T.12
Le Pichon, C.E.13
Medhurst, A.D.14
Liu, X.15
Moffat, J.G.16
Nash, K.17
Scearce-Levie, K.18
Sheng, Z.19
Shore, D.G.20
Van De Poël, H.21
Zhang, S.22
Zhu, H.23
Sweeney, Z.K.24
more..
-
255
-
-
84862274036
-
Discovery of selective LRRK2 inhibitors guided by computational analysis and molecular modeling
-
Chen, H., Chan, B. K., Drummond, J., Estrada, A. A., Gunzner- Toste, J., Liu, X., Liu, Y., Moffat, J. G., Shore, D., Sweeney, Z. K., Tran, T., Wang, S., Zhao, G., Zhu, H., and Burdick, D. J. (2012) Discovery of selective LRRK2 inhibitors guided by computational analysis and molecular modeling J. Med. Chem. 55, 5536-5545 10.1021/jm300452p
-
(2012)
J. Med. Chem.
, vol.55
, pp. 5536-5545
-
-
Chen, H.1
Chan, B.K.2
Drummond, J.3
Estrada, A.A.4
Gunzner- Toste, J.5
Liu, X.6
Liu, Y.7
Moffat, J.G.8
Shore, D.9
Sweeney, Z.K.10
Tran, T.11
Wang, S.12
Zhao, G.13
Zhu, H.14
Burdick, D.J.15
-
256
-
-
84870051317
-
Discovery of highly potent, selective, and brain-penetrable leucine-rich repeat kinase 2 (LRRK2) small molecule inhibitors
-
Estrada, A. A., Liu, X., Baker-Glenn, C., Beresford, A., Burdick, D. J., Chambers, M., Chan, B. K., Chen, H., Ding, X., DiPasquale, A. G., Dominguez, S. L., Dotson, J., Drummond, J., Flagella, M., Flynn, S., Fuji, R., Gill, A., Gunzner-Toste, J., Harris, S. F., Heffron, T. P., Kleinheinz, T., Lee, D. W., Le Pichon, C. E., Lyssikatos, J. P., Medhurst, A. D., Moffat, J. G., Mukund, S., Nash, K., Scearce-Levie, K., Sheng, Z., Shore, D. G., Tran, T., Trivedi, N., Wang, S., Zhang, S., Zhang, X., Zhao, G., Zhu, H., and Sweeney, Z. K. (2012) Discovery of highly potent, selective, and brain-penetrable leucine-rich repeat kinase 2 (LRRK2) small molecule inhibitors J. Med. Chem. 55, 9416-9433 10.1021/jm301020q
-
(2012)
J. Med. Chem.
, vol.55
, pp. 9416-9433
-
-
Estrada, A.A.1
Liu, X.2
Baker-Glenn, C.3
Beresford, A.4
Burdick, D.J.5
Chambers, M.6
Chan, B.K.7
Chen, H.8
Ding, X.9
DiPasquale, A.G.10
Dominguez, S.L.11
Dotson, J.12
Drummond, J.13
Flagella, M.14
Flynn, S.15
Fuji, R.16
Gill, A.17
Gunzner-Toste, J.18
Harris, S.F.19
Heffron, T.P.20
Kleinheinz, T.21
Lee, D.W.22
Le Pichon, C.E.23
Lyssikatos, J.P.24
Medhurst, A.D.25
Moffat, J.G.26
Mukund, S.27
Nash, K.28
Scearce-Levie, K.29
Sheng, Z.30
Shore, D.G.31
Tran, T.32
Trivedi, N.33
Wang, S.34
Zhang, S.35
Zhang, X.36
Zhao, G.37
Zhu, H.38
Sweeney, Z.K.39
more..
-
257
-
-
84865032690
-
Brain penetrant LRRK2inhibitor
-
Choi, H. G., Zhang, J., Deng, X., Hatcher, J. M., Patricelli, M. P., Zhao, Z., Alessi, D. R., and Gray, N. S. (2012) Brain penetrant LRRK2inhibitor ACS Med. Chem. Lett. 3, 658-662 10.1021/ml300123a
-
(2012)
ACS Med. Chem. Lett.
, vol.3
, pp. 658-662
-
-
Choi, H.G.1
Zhang, J.2
Deng, X.3
Hatcher, J.M.4
Patricelli, M.P.5
Zhao, Z.6
Alessi, D.R.7
Gray, N.S.8
-
258
-
-
84920809166
-
Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7 H -pyrrolo[2,3- d ]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor
-
Henderson, J. L., Kormos, B. L., Hayward, M. M., Coffman, K. J., Jasti, J., Kurumbail, R. G., Wager, T. T., Verhoest, P. R., Noell, G. S., Chen, Y., Needle, E., Berger, Z., Steyn, S. J., Houle, C., Hirst, W. D., and Galatsis, P. (2015) Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7 H -pyrrolo[2,3- d ]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor J. Med. Chem. 58, 419-432 10.1021/jm5014055
-
(2015)
J. Med. Chem.
, vol.58
, pp. 419-432
-
-
Henderson, J.L.1
Kormos, B.L.2
Hayward, M.M.3
Coffman, K.J.4
Jasti, J.5
Kurumbail, R.G.6
Wager, T.T.7
Verhoest, P.R.8
Noell, G.S.9
Chen, Y.10
Needle, E.11
Berger, Z.12
Steyn, S.J.13
Houle, C.14
Hirst, W.D.15
Galatsis, P.16
-
259
-
-
84897471004
-
Design and synthesis of high affinity inhibitors of Plasmodium falciparum and Plasmodium vivax N -myristoyltransferases directed by ligand efficiency dependent lipophilicity (LELP)
-
Rackham, M. D., Brannigan, J. A., Rangachari, K., Meister, S., Wilkinson, A. J., Holder, A. A., Leatherbarrow, R. J., and Tate, E. W. (2014) Design and synthesis of high affinity inhibitors of Plasmodium falciparum and Plasmodium vivax N -myristoyltransferases directed by ligand efficiency dependent lipophilicity (LELP) J. Med. Chem. 57, 2773-2788 10.1021/jm500066b
-
(2014)
J. Med. Chem.
, vol.57
, pp. 2773-2788
-
-
Rackham, M.D.1
Brannigan, J.A.2
Rangachari, K.3
Meister, S.4
Wilkinson, A.J.5
Holder, A.A.6
Leatherbarrow, R.J.7
Tate, E.W.8
-
260
-
-
84865518339
-
A matched molecular pair analysis of in vitro human microsomal metabolic stability measurements for heterocyclic replacements of di-substituted benzene containing compounds - Identification of those isosteres more likely to have beneficial effects
-
Dossetter, A. G., Douglas, A., and O'Donnell, C. (2012) A matched molecular pair analysis of in vitro human microsomal metabolic stability measurements for heterocyclic replacements of di-substituted benzene containing compounds-identification of those isosteres more likely to have beneficial effects MedChemComm 3, 1164-1169 10.1039/c2md20155k
-
(2012)
MedChemComm
, vol.3
, pp. 1164-1169
-
-
Dossetter, A.G.1
Douglas, A.2
O'Donnell, C.3
-
261
-
-
0030014882
-
(S)-(+)-2-(3′-carboxybicyclo[1.1.1]pentyl)-glycine, a structurally new group I metabotropic glutamate receptor antagonist
-
Pellicciari, R., Raimondo, M., Marinozzi, M., Natalini, B., Costantino, G., and Thomsen, C. (1996) (S)-(+)-2-(3′-carboxybicyclo[1.1.1]pentyl)-glycine, a structurally new group I metabotropic glutamate receptor antagonist J. Med. Chem. 39, 2874-2876 10.1021/jm960254o
-
(1996)
J. Med. Chem.
, vol.39
, pp. 2874-2876
-
-
Pellicciari, R.1
Raimondo, M.2
Marinozzi, M.3
Natalini, B.4
Costantino, G.5
Thomsen, C.6
-
262
-
-
0032537619
-
Synthesis and preliminary evaluation of (S)-2-(40-carboxycubyl)glycine, a new selective mGluR1 antagonist
-
Pellicciari, R., Costantino, G., Giovagnoni, E., Mattoli, L., Brabet, I., and Pin, J.-P. (1998) Synthesis and preliminary evaluation of (S)-2-(40-carboxycubyl)glycine, a new selective mGluR1 antagonist Bioorg. Med. Chem. Lett. 8, 1569-1574 10.1016/S0960-894X(98)00265-0
-
(1998)
Bioorg. Med. Chem. Lett.
, vol.8
, pp. 1569-1574
-
-
Pellicciari, R.1
Costantino, G.2
Giovagnoni, E.3
Mattoli, L.4
Brabet, I.5
Pin, J.-P.6
-
263
-
-
0035080723
-
Synthesis and biological evaluation of 2-(3′-(1 H -tetrazol-5-yl)bicyclo[1.1.1]pent-1-yl)glycine (S-TBPG), a novel mGlu1 receptor antagonist
-
Costantino, G., Maltoni, K., Marinozzi, M., Camaioni, E., Prezeau, L., Pin, J.-P., and Pellicciari, R. (2001) Synthesis and biological evaluation of 2-(3′-(1 H -tetrazol-5-yl)bicyclo[1.1.1]pent-1-yl)glycine (S-TBPG), a novel mGlu1 receptor antagonist Bioorg. Med. Chem. 9, 221-227 10.1016/S0968-0896(00)00270-4
-
(2001)
Bioorg. Med. Chem.
, vol.9
, pp. 221-227
-
-
Costantino, G.1
Maltoni, K.2
Marinozzi, M.3
Camaioni, E.4
Prezeau, L.5
Pin, J.-P.6
Pellicciari, R.7
-
264
-
-
84859797196
-
Application of the bicyclo[1.1.1]pentane motif as a nonclassical phenyl ring bioisostere in the design of a potent and orally active γ-secretase inhibitor
-
Stepan, A. F., Subramanyam, C., Efremov, I. V., Dutra, J. K., O'Sullivan, T. J., DiRico, K. J., McDonald, W. S., Won, A., Dorff, P. H., Nolan, C. E., Becker, S. L., Pustilnik, L. R., Riddell, D. R., Kauffman, G. W., Kormos, B. L., Zhang, L., Lu, Y., Capetta, S. H., Green, M. E., Karki, K., Sibley, E., Atchison, K. P., Hallgren, A. J., Oborski, C. E., Robshaw, A. E., Sneed, B., and O'Donnell, C. J. (2012) Application of the bicyclo[1.1.1]pentane motif as a nonclassical phenyl ring bioisostere in the design of a potent and orally active γ-secretase inhibitor J. Med. Chem. 55, 3414-3424 10.1021/jm300094u
-
(2012)
J. Med. Chem.
, vol.55
, pp. 3414-3424
-
-
Stepan, A.F.1
Subramanyam, C.2
Efremov, I.V.3
Dutra, J.K.4
O'Sullivan, T.J.5
DiRico, K.J.6
McDonald, W.S.7
Won, A.8
Dorff, P.H.9
Nolan, C.E.10
Becker, S.L.11
Pustilnik, L.R.12
Riddell, D.R.13
Kauffman, G.W.14
Kormos, B.L.15
Zhang, L.16
Lu, Y.17
Capetta, S.H.18
Green, M.E.19
Karki, K.20
Sibley, E.21
Atchison, K.P.22
Hallgren, A.J.23
Oborski, C.E.24
Robshaw, A.E.25
Sneed, B.26
O'Donnell, C.J.27
more..
-
265
-
-
84954025944
-
Synthesis and biopharmaceutical evaluation of imatinib analogues featuring unusual structural motifs
-
Nicolaou, K. C., Vourloumis, D., Totokotsopoulos, S., Papakyriakou, A., Karsunky, H., Fernando, H., Gavrilyuk, J., Webb, D., and Stepan, A. F. (2016) Synthesis and biopharmaceutical evaluation of imatinib analogues featuring unusual structural motifs ChemMedChem 11, 31-37 10.1002/cmdc.201500510
-
(2016)
ChemMedChem
, vol.11
, pp. 31-37
-
-
Nicolaou, K.C.1
Vourloumis, D.2
Totokotsopoulos, S.3
Papakyriakou, A.4
Karsunky, H.5
Fernando, H.6
Gavrilyuk, J.7
Webb, D.8
Stepan, A.F.9
-
266
-
-
8944253773
-
Regiochemical variations in reactions of methylcubane with tert -butoxyl radical, cytochrome P-450 enzymes, and a methane monooxygenase system
-
Choi, S.-Y., Eaton, P. E., Hollenberg, P. F., Liu, K. E., Lippard, S. J., Newcomb, M., Putt, D. A., and Upadhyaya, S. P. (1996) Regiochemical variations in reactions of methylcubane with tert -butoxyl radical, cytochrome P-450 enzymes, and a methane monooxygenase system J. Am. Chem. Soc. 118, 6547-6555 10.1021/ja952226l
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 6547-6555
-
-
Choi, S.-Y.1
Eaton, P.E.2
Hollenberg, P.F.3
Liu, K.E.4
Lippard, S.J.5
Newcomb, M.6
Putt, D.A.7
Upadhyaya, S.P.8
-
267
-
-
33748298066
-
Cubanes: Starting materials for the chemistry of the 1990s and the new century
-
Eaton, P. E. (1992) Cubanes: starting materials for the chemistry of the 1990s and the new century Angew. Chem., Int. Ed. Engl. 31, 1421-1436 10.1002/anie.199214211
-
(1992)
Angew. Chem., Int. Ed. Engl.
, vol.31
, pp. 1421-1436
-
-
Eaton, P.E.1
-
268
-
-
84954409400
-
Strain-release amination
-
Gianatassio, R., Lopchuk, J. M., Wang, J., Pan, C.-M., Malins, L. R., Prieto, L., Brandt, T. A., Collins, M. R., Gallego, G. M., Sach, N. W., Spangler, J. E., Zhu, H., Zhu, J., and Baran, P. S. (2016) Strain-release amination Science 351, 241-246 10.1126/science.aad6252
-
(2016)
Science
, vol.351
, pp. 241-246
-
-
Gianatassio, R.1
Lopchuk, J.M.2
Wang, J.3
Pan, C.-M.4
Malins, L.R.5
Prieto, L.6
Brandt, T.A.7
Collins, M.R.8
Gallego, G.M.9
Sach, N.W.10
Spangler, J.E.11
Zhu, H.12
Zhu, J.13
Baran, P.S.14
-
269
-
-
47149111206
-
Achieving structural diversity using the perpendicular conformation of alpha-substituted phenylcyclopropanes to mimic the bioactive conformation of ortho-substituted biphenyl P4 moieties: Discovery of novel, highly potent inhibitors of Factor Xa
-
Qiao, J. X., Cheney, D. L., Alexander, R. S., Smallwood, A. M., King, S. R., He, K., Rendina, A. R., Luettgen, J. M., Knabb, R. M., Wexler, R. R., and Lam, P. Y. (2008) Achieving structural diversity using the perpendicular conformation of alpha-substituted phenylcyclopropanes to mimic the bioactive conformation of ortho-substituted biphenyl P4 moieties: discovery of novel, highly potent inhibitors of Factor Xa Bioorg. Med. Chem. Lett. 18, 4118-4123 10.1016/j.bmcl.2008.05.095
-
(2008)
Bioorg. Med. Chem. Lett.
, vol.18
, pp. 4118-4123
-
-
Qiao, J.X.1
Cheney, D.L.2
Alexander, R.S.3
Smallwood, A.M.4
King, S.R.5
He, K.6
Rendina, A.R.7
Luettgen, J.M.8
Knabb, R.M.9
Wexler, R.R.10
Lam, P.Y.11
-
270
-
-
47749133751
-
Design and optimization of potent, selective antagonists of oxytocin
-
Brown, A., Brown, L., Ellis, D., Puhalo, N., Smith, C. R., Wallace, O., and Watson, L. (2008) Design and optimization of potent, selective antagonists of oxytocin Bioorg. Med. Chem. Lett. 18, 4278-4281 10.1016/j.bmcl.2008.06.098
-
(2008)
Bioorg. Med. Chem. Lett.
, vol.18
, pp. 4278-4281
-
-
Brown, A.1
Brown, L.2
Ellis, D.3
Puhalo, N.4
Smith, C.R.5
Wallace, O.6
Watson, L.7
-
271
-
-
72249121632
-
Triazole oxytocin antagonists: Identification of an aryloxyazetidine replacement for a biaryl substituent
-
Brown, A., Brown, T. B., Calabrese, A., Ellis, D., Puhalo, N., Ralph, M., and Watson, L. (2010) Triazole oxytocin antagonists: identification of an aryloxyazetidine replacement for a biaryl substituent Bioorg. Med. Chem. Lett. 20, 516-520 10.1016/j.bmcl.2009.11.097
-
(2010)
Bioorg. Med. Chem. Lett.
, vol.20
, pp. 516-520
-
-
Brown, A.1
Brown, T.B.2
Calabrese, A.3
Ellis, D.4
Puhalo, N.5
Ralph, M.6
Watson, L.7
-
272
-
-
10644255580
-
2,3-Diaminopyridine bradykinin B1 receptor antagonists
-
Kuduk, S. D., Ng, C., Feng, D.-M., Wai, J. M.-C., Chang, R. S. L., Harrell, C. M., Murphy, K. L., Ransom, R. W., Reiss, D., Ivarsson, M., Mason, G., Boyce, S., Tang, C., Prueksaritanont, T., Freidinger, R. M., Pettibone, D. J., and Bock, M. G. (2004) 2,3-Diaminopyridine bradykinin B1 receptor antagonists J. Med. Chem. 47, 6439-6442 10.1021/jm049394l
-
(2004)
J. Med. Chem.
, vol.47
, pp. 6439-6442
-
-
Kuduk, S.D.1
Ng, C.2
Feng, D.-M.3
Wai, J.M.-C.4
Chang, R.S.L.5
Harrell, C.M.6
Murphy, K.L.7
Ransom, R.W.8
Reiss, D.9
Ivarsson, M.10
Mason, G.11
Boyce, S.12
Tang, C.13
Prueksaritanont, T.14
Freidinger, R.M.15
Pettibone, D.J.16
Bock, M.G.17
-
273
-
-
21144444420
-
Bioactivation of 2,3-diaminopyridine-containing bradykinin B1 receptor antagonists: Irreversible binding to liver microsomal proteins and formation of glutathione conjugates
-
Tang, C., Subramanian, R., Kuo, Y., Krymgold, S., Lu, P., Kuduk, S. D., Ng, C., Feng, D.-M., Elmore, C., Soli, E., Ho, J., Bock, M. G., Baillie, T. A., and Prueksaritanont, T. (2005) Bioactivation of 2,3-diaminopyridine-containing bradykinin B1 receptor antagonists: irreversible binding to liver microsomal proteins and formation of glutathione conjugates Chem. Res. Toxicol. 18, 934-945 10.1021/tx0500427
-
(2005)
Chem. Res. Toxicol.
, vol.18
, pp. 934-945
-
-
Tang, C.1
Subramanian, R.2
Kuo, Y.3
Krymgold, S.4
Lu, P.5
Kuduk, S.D.6
Ng, C.7
Feng, D.-M.8
Elmore, C.9
Soli, E.10
Ho, J.11
Bock, M.G.12
Baillie, T.A.13
Prueksaritanont, T.14
-
274
-
-
33144464965
-
1 receptor antagonists
-
1 receptor antagonists J. Med. Chem. 49, 1231-1234 10.1021/jm0511280
-
(2006)
J. Med. Chem.
, vol.49
, pp. 1231-1234
-
-
Wood, M.R.1
Schirripa, K.M.2
Kim, J.J.3
Wan, B.-L.4
Murphy, K.L.5
Ransom, R.W.6
Chang, R.S.L.7
Tang, C.8
Prueksaritanont, T.9
Detwiler, T.J.10
Hettrick, L.A.11
Landis, E.R.12
Leonard, Y.M.13
Krueger, J.A.14
Lewis, S.D.15
Pettibone, D.J.16
Freidinger, R.M.17
Bock, M.G.18
-
275
-
-
84906933589
-
Discovery of novel pyrimidine and malonamide derivatives as TGR5 agonists
-
Park, E. J., Ahn, Y. G., Jung, S. H., Bang, H. J., Kim, M., Hong, D. J., Kim, J., Suh, K. H., Kim, Y. J., Kim, D., Kim, E. Y., Lee, K., and Min, K. H. (2014) Discovery of novel pyrimidine and malonamide derivatives as TGR5 agonists Bioorg. Med. Chem. Lett. 24, 4271-4275 10.1016/j.bmcl.2014.07.026
-
(2014)
Bioorg. Med. Chem. Lett.
, vol.24
, pp. 4271-4275
-
-
Park, E.J.1
Ahn, Y.G.2
Jung, S.H.3
Bang, H.J.4
Kim, M.5
Hong, D.J.6
Kim, J.7
Suh, K.H.8
Kim, Y.J.9
Kim, D.10
Kim, E.Y.11
Lee, K.12
Min, K.H.13
-
276
-
-
84875609906
-
2-Phenoxy-nicotinamides are potent agonists at the bile acid receptor GPBAR1 (TGR5)
-
Martin, R. E., Bissantz, C., Gavelle, O., Kuratli, C., Dehmlow, H., Richter, H. G., Obst Sander, U., Erickson, S. D., Kim, K., Pietranico-Cole, S. L., Alvarez-Sánchez, R., and Ullmer, C. (2013) 2-Phenoxy-nicotinamides are potent agonists at the bile acid receptor GPBAR1 (TGR5) ChemMedChem 8, 569-576 10.1002/cmdc.201200474
-
(2013)
ChemMedChem
, vol.8
, pp. 569-576
-
-
Martin, R.E.1
Bissantz, C.2
Gavelle, O.3
Kuratli, C.4
Dehmlow, H.5
Richter, H.G.6
Obst Sander, U.7
Erickson, S.D.8
Kim, K.9
Pietranico-Cole, S.L.10
Alvarez-Sánchez, R.11
Ullmer, C.12
-
277
-
-
84955454677
-
3: Discovery of a selective and orally efficacious RORγ inhibitor
-
3: discovery of a selective and orally efficacious RORγ inhibitor ACS Med. Chem. Lett. 7, 23-27 10.1021/acsmedchemlett.5b00253
-
(2016)
ACS Med. Chem. Lett.
, vol.7
, pp. 23-27
-
-
Hirata, K.1
Kotoku, M.2
Seki, N.3
Maeba, T.4
Maeda, K.5
Hirashima, S.6
Sakai, T.7
Obika, S.8
Hori, A.9
Hase, Y.10
Yamaguchi, T.11
Katsuda, Y.12
Hata, T.13
Miyagawa, N.14
Arita, K.15
Nomura, Y.16
Asahina, K.17
Aratsu, Y.18
Kamada, M.19
Adachi, T.20
Noguchi, M.21
Doi, S.22
Crowe, P.23
Bradley, E.24
Steensma, R.25
Tao, H.26
Fenn, M.27
Babine, R.28
Li, X.29
Thacher, S.30
Hashimoto, H.31
Shiozaki, M.32
more..
-
278
-
-
84942251348
-
Discovery and optimization of imidazopyridine-based inhibitors of diacylglycerol acyltransferase 2 (DGAT2)
-
Futatsugi, K., Kung, D. W., Orr, S. T., Cabral, S., Hepworth, D., Aspnes, G., Bader, S., Bian, J., Boehm, M., Carpino, P. A., Coffey, S. B., Dowling, M. S., Herr, M., Jiao, W., Lavergne, S. Y., Li, Q., Clark, R. W., Erion, D. M., Kou, K., Lee, K., Pabst, B. A., Perez, S. M., Purkal, J., Jorgensen, C. C., Goosen, T. C., Gosset, J. R., Niosi, M., Pettersen, J. C., Pfefferkorn, J. A., Ahn, K., and Goodwin, B. (2015) Discovery and optimization of imidazopyridine-based inhibitors of diacylglycerol acyltransferase 2 (DGAT2) J. Med. Chem. 58, 7173-7185 10.1021/acs.jmedchem.5b01006
-
(2015)
J. Med. Chem.
, vol.58
, pp. 7173-7185
-
-
Futatsugi, K.1
Kung, D.W.2
Orr, S.T.3
Cabral, S.4
Hepworth, D.5
Aspnes, G.6
Bader, S.7
Bian, J.8
Boehm, M.9
Carpino, P.A.10
Coffey, S.B.11
Dowling, M.S.12
Herr, M.13
Jiao, W.14
Lavergne, S.Y.15
Li, Q.16
Clark, R.W.17
Erion, D.M.18
Kou, K.19
Lee, K.20
Pabst, B.A.21
Perez, S.M.22
Purkal, J.23
Jorgensen, C.C.24
Goosen, T.C.25
Gosset, J.R.26
Niosi, M.27
Pettersen, J.C.28
Pfefferkorn, J.A.29
Ahn, K.30
Goodwin, B.31
more..
-
279
-
-
84949814601
-
Discovery and pharmacology of a novel class of diacylglycerol acyltransferase 2 inhibitors
-
Imbriglio, J. E., Shen, D. M., Liang, R., Marby, K., You, M., Youm, H. W., Feng, Z., London, C., Xiong, Y., Tata, J., Verras, A., Garcia-Calvo, M., Song, X., Addona, G. H., McLaren, D. G., He, T., Murphy, B., Metzger, D. E., Salituro, G., Deckman, D., Chen, Q., Jin, X., Stout, S. J., Wang, S. P., Wilsie, L., Palyha, O., Han, S., Hubbard, B. K., Previs, S. F., Pinto, S., and Taggart, A. (2015) Discovery and pharmacology of a novel class of diacylglycerol acyltransferase 2 inhibitors J. Med. Chem. 58, 9345-9353 10.1021/acs.jmedchem.5b01345
-
(2015)
J. Med. Chem.
, vol.58
, pp. 9345-9353
-
-
Imbriglio, J.E.1
Shen, D.M.2
Liang, R.3
Marby, K.4
You, M.5
Youm, H.W.6
Feng, Z.7
London, C.8
Xiong, Y.9
Tata, J.10
Verras, A.11
Garcia-Calvo, M.12
Song, X.13
Addona, G.H.14
McLaren, D.G.15
He, T.16
Murphy, B.17
Metzger, D.E.18
Salituro, G.19
Deckman, D.20
Chen, Q.21
Jin, X.22
Stout, S.J.23
Wang, S.P.24
Wilsie, L.25
Palyha, O.26
Han, S.27
Hubbard, B.K.28
Previs, S.F.29
Pinto, S.30
Taggart, A.31
more..
-
280
-
-
84942314032
-
Discovery of selective small molecule inhibitors of monoacylglycerol acyltransferase 3
-
Huard, K., Londregan, A. T., Tesz, G., Bahnck, K. B., Magee, T. V., Hepworth, D., Polivkova, J., Coffey, S. B., Pabst, B. A., Gosset, J. R., Nigam, A., Kou, K., Sun, H., Lee, K., Herr, M., Boehm, M., Carpino, P. A., Goodwin, B., Perreault, C., Li, Q., Jorgensen, C. C., Tkalcevic, G. T., Subashi, T. A., and Ahn, K. (2015) Discovery of selective small molecule inhibitors of monoacylglycerol acyltransferase 3 J. Med. Chem. 58, 7164-7172 10.1021/acs.jmedchem.5b01008
-
(2015)
J. Med. Chem.
, vol.58
, pp. 7164-7172
-
-
Huard, K.1
Londregan, A.T.2
Tesz, G.3
Bahnck, K.B.4
Magee, T.V.5
Hepworth, D.6
Polivkova, J.7
Coffey, S.B.8
Pabst, B.A.9
Gosset, J.R.10
Nigam, A.11
Kou, K.12
Sun, H.13
Lee, K.14
Herr, M.15
Boehm, M.16
Carpino, P.A.17
Goodwin, B.18
Perreault, C.19
Li, Q.20
Jorgensen, C.C.21
Tkalcevic, G.T.22
Subashi, T.A.23
Ahn, K.24
more..
-
281
-
-
84920722466
-
Structure-based drug design of novel potent and selective tetrahydropyrazolo[1,5-a]pyrazines as ATR inhibitors
-
Barsanti, P. A., Aversa, R. J., Jin, X., Pan, Y., Lu, Y., Elling, R., Jain, R., Knapp, M., Lan, J., Lin, X., Rudewicz, P., Sim, J., Taricani, L., Thomas, G., Xiao, L., and Yue, Q. (2015) Structure-based drug design of novel potent and selective tetrahydropyrazolo[1,5-a]pyrazines as ATR inhibitors ACS Med. Chem. Lett. 6, 37-41 10.1021/ml500353p
-
(2015)
ACS Med. Chem. Lett.
, vol.6
, pp. 37-41
-
-
Barsanti, P.A.1
Aversa, R.J.2
Jin, X.3
Pan, Y.4
Lu, Y.5
Elling, R.6
Jain, R.7
Knapp, M.8
Lan, J.9
Lin, X.10
Rudewicz, P.11
Sim, J.12
Taricani, L.13
Thomas, G.14
Xiao, L.15
Yue, Q.16
-
282
-
-
84925664415
-
ATM and ATR as therapeutic targets in cancer
-
Weber, A. M. and Ryan, A. J. (2015) ATM and ATR as therapeutic targets in cancer Pharmacol. Ther. 149, 124-138 10.1016/j.pharmthera.2014.12.001
-
(2015)
Pharmacol. Ther.
, vol.149
, pp. 124-138
-
-
Weber, A.M.1
Ryan, A.J.2
-
283
-
-
31544467109
-
Discovery of a potent inhibitor of the antiapoptotic protein Bcl-xL from NMR and parallel synthesis
-
Petros, A. M., Dinges, J., Augeri, D. J., Baumeister, S. A., Betebenner, D. A., Bures, M. G., Elmore, S. W., Hajduk, P. J., Joseph, M. K., Landis, S. K., Nettesheim, D. G., Rosenberg, S. H., Shen, W., Thomas, S., Wang, X., Zanze, I., Zhang, H., and Fesik, S. W. (2006) Discovery of a potent inhibitor of the antiapoptotic protein Bcl-xL from NMR and parallel synthesis J. Med. Chem. 49, 656-663 10.1021/jm0507532
-
(2006)
J. Med. Chem.
, vol.49
, pp. 656-663
-
-
Petros, A.M.1
Dinges, J.2
Augeri, D.J.3
Baumeister, S.A.4
Betebenner, D.A.5
Bures, M.G.6
Elmore, S.W.7
Hajduk, P.J.8
Joseph, M.K.9
Landis, S.K.10
Nettesheim, D.G.11
Rosenberg, S.H.12
Shen, W.13
Thomas, S.14
Wang, X.15
Zanze, I.16
Zhang, H.17
Fesik, S.W.18
-
284
-
-
52649083344
-
Discovery of ABT-263, a Bcl-family protein inhibitor: Observations on targeting a large protein-protein interaction
-
Wendt, M. D. (2008) Discovery of ABT-263, a Bcl-family protein inhibitor: observations on targeting a large protein-protein interaction Expert Opin. Drug Discovery 3, 1123-1143 10.1517/17460441.3.9.1123
-
(2008)
Expert Opin. Drug Discovery
, vol.3
, pp. 1123-1143
-
-
Wendt, M.D.1
-
285
-
-
56249144184
-
Discovery of an orally bioavailable small molecule inhibitor of prosurvival B-cell lymphoma 2 proteins
-
Park, C.-M., Bruncko, M., Adickes, J., Bauch, J., Ding, H., Kunzer, A., Kennan, M. C., Nimmer, P., Shoemaker, A. R., Song, X., Tahir, S. K., Tse, C., Wang, X., Wendt, M. D., Yang, X., Zhang, H., Fesik, S. W., Rosenberg, S. H., and Elmore, S. (2008) Discovery of an orally bioavailable small molecule inhibitor of prosurvival B-cell lymphoma 2 proteins J. Med. Chem. 51, 6902-6915 10.1021/jm800669s
-
(2008)
J. Med. Chem.
, vol.51
, pp. 6902-6915
-
-
Park, C.-M.1
Bruncko, M.2
Adickes, J.3
Bauch, J.4
Ding, H.5
Kunzer, A.6
Kennan, M.C.7
Nimmer, P.8
Shoemaker, A.R.9
Song, X.10
Tahir, S.K.11
Tse, C.12
Wang, X.13
Wendt, M.D.14
Yang, X.15
Zhang, H.16
Fesik, S.W.17
Rosenberg, S.H.18
Elmore, S.19
-
286
-
-
20444486559
-
An inhibitor of Bcl-2 family proteins induces regression of solid tumours
-
Oltersdorf, T., Elmore, S. W., Shoemaker, A. R., Armstrong, R. C., Augeri, S. W., Belli, B. A., Bruncko, M., Deckwerth, T. L., Dinges, J., Hajduk, P. J., Joseph, M. K., Kitada, S., Korsmeyer, S. J., Kunzer, A. R., Letai, A., Li, C., Mitten, M. J., Nettesheim, D. J., Ng, S., Nimmer, P. M., O'Connor, J. M., Oleksijew, A., Petros, A. M., Reed, J. C., Shen, W., Tahir, S. K., Thompson, C. B., Tomaselli, K. J., Wang, B., Wendt, M. D., Zhang, H., Fesik, S. W., and Rosenberg, S. H. (2005) An inhibitor of Bcl-2 family proteins induces regression of solid tumours Nature 435, 677-681 10.1038/nature03579
-
(2005)
Nature
, vol.435
, pp. 677-681
-
-
Oltersdorf, T.1
Elmore, S.W.2
Shoemaker, A.R.3
Armstrong, R.C.4
Augeri, S.W.5
Belli, B.A.6
Bruncko, M.7
Deckwerth, T.L.8
Dinges, J.9
Hajduk, P.J.10
Joseph, M.K.11
Kitada, S.12
Korsmeyer, S.J.13
Kunzer, A.R.14
Letai, A.15
Li, C.16
Mitten, M.J.17
Nettesheim, D.J.18
Ng, S.19
Nimmer, P.M.20
O'Connor, J.M.21
Oleksijew, A.22
Petros, A.M.23
Reed, J.C.24
Shen, W.25
Tahir, S.K.26
Thompson, C.B.27
Tomaselli, K.J.28
Wang, B.29
Wendt, M.D.30
Zhang, H.31
Fesik, S.W.32
Rosenberg, S.H.33
more..
-
287
-
-
84891804059
-
The role of lymphatic transport on the systemic bioavailability of the Bcl-2 protein family inhibitors navitoclax (ABT-263) and ABT-199
-
Choo, E. F., Boggs, J., Zhu, C., Lubach, J. W., Catron, N. D., Jenkins, G., Souers, A. J., and Voorman, R. (2014) The role of lymphatic transport on the systemic bioavailability of the Bcl-2 protein family inhibitors navitoclax (ABT-263) and ABT-199 Drug Metab. Dispos. 42, 207-212 10.1124/dmd.113.055053
-
(2014)
Drug Metab. Dispos.
, vol.42
, pp. 207-212
-
-
Choo, E.F.1
Boggs, J.2
Zhu, C.3
Lubach, J.W.4
Catron, N.D.5
Jenkins, G.6
Souers, A.J.7
Voorman, R.8
-
288
-
-
84863845342
-
Lipophilic isosteres of a π-π stacking interaction: New inhibitors of the Bcl-2-Bak protein-protein interaction
-
Yusuff, N., Doré, M., Joud, C., Visser, M., Springer, C., Xie, X., Herlihy, K., Porter, D., and Touré, B. B. (2012) Lipophilic isosteres of a π-π stacking interaction: new inhibitors of the Bcl-2-Bak protein-protein interaction ACS Med. Chem. Lett. 3, 579-583 10.1021/ml300095a
-
(2012)
ACS Med. Chem. Lett.
, vol.3
, pp. 579-583
-
-
Yusuff, N.1
Doré, M.2
Joud, C.3
Visser, M.4
Springer, C.5
Xie, X.6
Herlihy, K.7
Porter, D.8
Touré, B.B.9
-
289
-
-
0033708071
-
Modulation of oral bioavailability of anticancer drugs: From mouse to man
-
Schellens, J. H., Malingré, M. M., Kruijtzer, C. M., Bardelmeijer, H. A., van Tellingen, O., Schinkel, A. H., and Beijnen, J. H. (2000) Modulation of oral bioavailability of anticancer drugs: from mouse to man Eur. J. Pharm. Sci. 12, 103-110 10.1016/S0928-0987(00)00153-6
-
(2000)
Eur. J. Pharm. Sci.
, vol.12
, pp. 103-110
-
-
Schellens, J.H.1
Malingré, M.M.2
Kruijtzer, C.M.3
Bardelmeijer, H.A.4
Van Tellingen, O.5
Schinkel, A.H.6
Beijnen, J.H.7
-
290
-
-
12444256346
-
The discovery of BMS-275183: An orally efficacious novel taxane
-
Mastalerz, H., Cook, D., Fairchild, C. R., Hansel, S., Johnson, W., Kadow, J. F., Long, B. H., Rose, W. C., Tarrant, J., Wu, M. J., Xue, M. Q., Zhang, G., Zoeckler, M., and Vyas, D. M. (2003) The discovery of BMS-275183: an orally efficacious novel taxane Bioorg. Med. Chem. 11, 4315-4323 10.1016/S0968-0896(03)00495-4
-
(2003)
Bioorg. Med. Chem.
, vol.11
, pp. 4315-4323
-
-
Mastalerz, H.1
Cook, D.2
Fairchild, C.R.3
Hansel, S.4
Johnson, W.5
Kadow, J.F.6
Long, B.H.7
Rose, W.C.8
Tarrant, J.9
Wu, M.J.10
Xue, M.Q.11
Zhang, G.12
Zoeckler, M.13
Vyas, D.M.14
-
291
-
-
66449127635
-
14C]3′-tert-butyl-3′- N-tert-butyloxycarbonyl-4-deacetyl-3′-dephenyl-3′-N-debenzoyl-4-O-methoxy-paclitaxel (BMS-275183), in rats and dogs
-
14C]3′-tert-butyl-3′- N -tert-butyloxycarbonyl-4-deacetyl-3′-dephenyl-3′-N-debenzoyl-4-O-methoxy-paclitaxel (BMS-275183), in rats and dogs Drug Metab. Dispos. 37, 1115-1128 10.1124/dmd.108.025809
-
(2009)
Drug Metab. Dispos.
, vol.37
, pp. 1115-1128
-
-
Ly, V.T.1
Caceres-Cortes, J.2
Zhang, D.3
Humphreys, W.G.4
Ekhato, I.V.5
Everett, D.6
Cömezoǧlu, S.N.7
-
292
-
-
0034778514
-
Preclinical pharmacology of BMS-275183, an orally active taxane
-
Rose, W. C., Long, B. H., Fairchild, C. R., Lee, F. Y., and Kadow, J. F. (2001) Preclinical pharmacology of BMS-275183, an orally active taxane Clin. Cancer Res. 7, 2016-2021
-
(2001)
Clin. Cancer Res.
, vol.7
, pp. 2016-2021
-
-
Rose, W.C.1
Long, B.H.2
Fairchild, C.R.3
Lee, F.Y.4
Kadow, J.F.5
-
293
-
-
33645677282
-
Phase I trial with BMS-275183, a novel oral taxane with promising antitumor activity
-
Bröker, L. E., de Vos, F. Y., van Groeningen, C. J., Kuenen, B. C., Gall, H. E., Woo, M. H., Voi, M., Gietema, J. A., de Vries, E. G., and Giaccone, G. (2006) Phase I trial with BMS-275183, a novel oral taxane with promising antitumor activity Clin. Cancer Res. 12, 1760-1767 10.1158/1078-0432.CCR-05-2093
-
(2006)
Clin. Cancer Res.
, vol.12
, pp. 1760-1767
-
-
Bröker, L.E.1
De Vos, F.Y.2
Van Groeningen, C.J.3
Kuenen, B.C.4
Gall, H.E.5
Woo, M.H.6
Voi, M.7
Gietema, J.A.8
De Vries, E.G.9
Giaccone, G.10
-
294
-
-
84856051059
-
A phase 1 study of BMS-275183, a novel oral analogue of paclitaxel given on a daily schedule to patients with advanced malignancies
-
Heath, E. I., Lorusso, P., Ramalingam, S. S., Awada, A., Egorin, M. J., Besse-Hamer, T., Cardoso, F., Valdivieso, M., Has, T., Alland, L., Zhou, X., and Belani, C. P. (2011) A phase 1 study of BMS-275183, a novel oral analogue of paclitaxel given on a daily schedule to patients with advanced malignancies Invest. New Drugs 29, 1426-1431 10.1007/s10637-010-9498-z
-
(2011)
Invest. New Drugs
, vol.29
, pp. 1426-1431
-
-
Heath, E.I.1
Lorusso, P.2
Ramalingam, S.S.3
Awada, A.4
Egorin, M.J.5
Besse-Hamer, T.6
Cardoso, F.7
Valdivieso, M.8
Has, T.9
Alland, L.10
Zhou, X.11
Belani, C.P.12
-
295
-
-
84938680591
-
Effect of the drug transporters ABCB1, ABCC2, and ABCG2 on the disposition and brain accumulation of the taxane analog BMS-275,183
-
Marchetti, S., Pluim, D., Beijnen, J. H., Mazzanti, R., van Tellingen, O., and Schellens, J. H. (2014) Effect of the drug transporters ABCB1, ABCC2, and ABCG2 on the disposition and brain accumulation of the taxane analog BMS-275,183 Invest. New Drugs 32, 1083-1095 10.1007/s10637-014-0143-0
-
(2014)
Invest. New Drugs
, vol.32
, pp. 1083-1095
-
-
Marchetti, S.1
Pluim, D.2
Beijnen, J.H.3
Mazzanti, R.4
Van Tellingen, O.5
Schellens, J.H.6
-
296
-
-
0030968741
-
Synthesis and evaluation of C-seco paclitaxel analogues
-
Appendino, G., Danieli, B., Jakupovic, J., Belloro, E., Scambia, G., and Bombardelli, E. (1997) Synthesis and evaluation of C-seco paclitaxel analogues Tetrahedron Lett. 38, 4273-4276 10.1016/S0040-4039(97)00877-0
-
(1997)
Tetrahedron Lett.
, vol.38
, pp. 4273-4276
-
-
Appendino, G.1
Danieli, B.2
Jakupovic, J.3
Belloro, E.4
Scambia, G.5
Bombardelli, E.6
-
297
-
-
26844487304
-
Synthesis and biological evaluation of methoxylated analogs of the newer generation taxoids IDN5109 and IDN5390
-
Barboni, L., Ballini, R., Giarlo, G., Appendino, G., Fontana, G., and Bombardelli, E. (2005) Synthesis and biological evaluation of methoxylated analogs of the newer generation taxoids IDN5109 and IDN5390 Bioorg. Med. Chem. Lett. 15, 5182-5186 10.1016/j.bmcl.2005.08.066
-
(2005)
Bioorg. Med. Chem. Lett.
, vol.15
, pp. 5182-5186
-
-
Barboni, L.1
Ballini, R.2
Giarlo, G.3
Appendino, G.4
Fontana, G.5
Bombardelli, E.6
-
298
-
-
18844462763
-
Oral efficacy and bioavailability of a novel taxane
-
Polizzi, D., Pratesi, G., Monestiroli, S., Tortoreto, M., Zunino, F., Bombardelli, E., Riva, A., Morazzoni, P., Colombo, T., D'Incalci, M., and Zucchetti, M. (2000) Oral efficacy and bioavailability of a novel taxane Clin. Cancer Res. 6, 2070-2074
-
(2000)
Clin. Cancer Res.
, vol.6
, pp. 2070-2074
-
-
Polizzi, D.1
Pratesi, G.2
Monestiroli, S.3
Tortoreto, M.4
Zunino, F.5
Bombardelli, E.6
Riva, A.7
Morazzoni, P.8
Colombo, T.9
D'Incalci, M.10
Zucchetti, M.11
-
299
-
-
17344393983
-
IDN5109, a taxane with oral bioavailability and potent antitumor activity
-
Nicoletti, M. I., Colombo, T., Rossi, C., Monardo, C., Stura, S., Zucchetti, M., Riva, A., Morazzoni, P., Donati, M. B., Bombardelli, E., D'Incalci, M., and Giavazzi, R. (2000) IDN5109, a taxane with oral bioavailability and potent antitumor activity Cancer Res. 60, 842-846
-
(2000)
Cancer Res.
, vol.60
, pp. 842-846
-
-
Nicoletti, M.I.1
Colombo, T.2
Rossi, C.3
Monardo, C.4
Stura, S.5
Zucchetti, M.6
Riva, A.7
Morazzoni, P.8
Donati, M.B.9
Bombardelli, E.10
D'Incalci, M.11
Giavazzi, R.12
-
300
-
-
1842843197
-
Broad-spectrum modulation of ATP-binding cassette transport proteins by the taxane derivatives ortataxel (IDN-5109, BAY 59-8862) and tRA96023
-
Minderman, H., Brooks, T. A., O'Loughlin, K. L., Ojima, I., Bernacki, R. J., and Baer, M. R. (2004) Broad-spectrum modulation of ATP-binding cassette transport proteins by the taxane derivatives ortataxel (IDN-5109, BAY 59-8862) and tRA96023 Cancer Chemother. Pharmacol. 53, 363-369 10.1007/s00280-003-0745-2
-
(2004)
Cancer Chemother. Pharmacol.
, vol.53
, pp. 363-369
-
-
Minderman, H.1
Brooks, T.A.2
O'Loughlin, K.L.3
Ojima, I.4
Bernacki, R.J.5
Baer, M.R.6
-
301
-
-
0037464339
-
IDN 5390: An oral taxane candidate for protracted treatment schedules
-
Pratesi, G., Laccabue, D., Lanzi, C., Cassinelli, G., Supino, R., Zucchetti, M., Frapolli, R., D'Incalci, M., Bombardelli, E., Morazzoni, P., Riva, A., and Zunino, F. (2003) IDN 5390: an oral taxane candidate for protracted treatment schedules Br. J. Cancer 88, 965-972 10.1038/sj.bjc.6600784
-
(2003)
Br. J. Cancer
, vol.88
, pp. 965-972
-
-
Pratesi, G.1
Laccabue, D.2
Lanzi, C.3
Cassinelli, G.4
Supino, R.5
Zucchetti, M.6
Frapolli, R.7
D'Incalci, M.8
Bombardelli, E.9
Morazzoni, P.10
Riva, A.11
Zunino, F.12
-
302
-
-
33751570159
-
Pharmacokinetics and metabolism in mice of IDN 5390 (13-(N-Boc-3-i-butylisoserinoyl)-C-7,8-seco-10-deacetylbaccatin III), a new oral C-seco-taxane derivative with antiangiogenic property effective on paclitaxel-resistant tumors
-
Frapolli, R., Marangon, E., Zaffaroni, M., Colombo, T., Falcioni, C., Bagnati, R., Simone, M., D'Incalci, M., Manzotti, C., Fontana, G., Morazzoni, P., and Zucchetti, M. (2006) Pharmacokinetics and metabolism in mice of IDN 5390 (13-(N-Boc-3-i-butylisoserinoyl)-C-7,8-seco-10-deacetylbaccatin III), a new oral C-seco-taxane derivative with antiangiogenic property effective on paclitaxel-resistant tumors Drug Metab. Dispos. 34, 2028-2035 10.1124/dmd.106.012153
-
(2006)
Drug Metab. Dispos.
, vol.34
, pp. 2028-2035
-
-
Frapolli, R.1
Marangon, E.2
Zaffaroni, M.3
Colombo, T.4
Falcioni, C.5
Bagnati, R.6
Simone, M.7
D'Incalci, M.8
Manzotti, C.9
Fontana, G.10
Morazzoni, P.11
Zucchetti, M.12
-
303
-
-
0035881082
-
Effects of orally active taxanes on P-glycoprotein modulation and colon and breast carcinoma drug resistance
-
Vredenburg, M. R., Ojima, I., Veith, J., Pera, P., Kee, K., Cabral, F., Sharma, A., Kanter, P., Greco, W. R., and Bernacki, R. J. (2001) Effects of orally active taxanes on P-glycoprotein modulation and colon and breast carcinoma drug resistance J. Natl. Cancer Inst. 93, 1234-1245 10.1093/jnci/93.16.1234
-
(2001)
J. Natl. Cancer Inst.
, vol.93
, pp. 1234-1245
-
-
Vredenburg, M.R.1
Ojima, I.2
Veith, J.3
Pera, P.4
Kee, K.5
Cabral, F.6
Sharma, A.7
Kanter, P.8
Greco, W.R.9
Bernacki, R.J.10
-
304
-
-
2442689451
-
New highly active taxoids from 9β-dihydrobaccatin-9,10-acetals. Part 5
-
Takeda, Y., Uoto, K., Iwahana, M., Jimbo, T., Nagata, M., Atsumi, R., Ono, C., Tanaka, N., Terasawa, H., and Soga, T. (2004) New highly active taxoids from 9β-dihydrobaccatin-9,10-acetals. Part 5 Bioorg. Med. Chem. Lett. 14, 3209-3215 10.1016/j.bmcl.2004.03.109
-
(2004)
Bioorg. Med. Chem. Lett.
, vol.14
, pp. 3209-3215
-
-
Takeda, Y.1
Uoto, K.2
Iwahana, M.3
Jimbo, T.4
Nagata, M.5
Atsumi, R.6
Ono, C.7
Tanaka, N.8
Terasawa, H.9
Soga, T.10
-
305
-
-
16544390219
-
Absorption, distribution, and excretion of DJ-927, a novel orally effective taxane, in mice, dogs, and monkeys
-
Ono, C., Takao, A., and Atsumi, R. (2004) Absorption, distribution, and excretion of DJ-927, a novel orally effective taxane, in mice, dogs, and monkeys Biol. Pharm. Bull. 27, 345-351 10.1248/bpb.27.345
-
(2004)
Biol. Pharm. Bull.
, vol.27
, pp. 345-351
-
-
Ono, C.1
Takao, A.2
Atsumi, R.3
-
306
-
-
0038419962
-
DJ-927, a novel oral taxane, overcomes P-glycoprotein-mediated multidrug resistance in vitro and in vivo
-
Shionoya, M., Jimbo, T., Kitagawa, M., Soga, T., and Tohgo, A. (2003) DJ-927, a novel oral taxane, overcomes P-glycoprotein-mediated multidrug resistance in vitro and in vivo Cancer Sci. 94, 459-466 10.1111/j.1349-7006.2003.tb01465.x
-
(2003)
Cancer Sci.
, vol.94
, pp. 459-466
-
-
Shionoya, M.1
Jimbo, T.2
Kitagawa, M.3
Soga, T.4
Tohgo, A.5
-
307
-
-
82455162574
-
Tesetaxel, a new oral taxane, in combination with capecitabine: A phase I, dose-escalation study in patients with advanced solid tumors
-
Saif, M. W., Sarantopoulos, J., Patnaik, A., Tolcher, A. W., Takimoto, C., and Beeram, M. (2011) Tesetaxel, a new oral taxane, in combination with capecitabine: a phase I, dose-escalation study in patients with advanced solid tumors Cancer Chemother. Pharmacol. 68, 1565-1573 10.1007/s00280-011-1639-3
-
(2011)
Cancer Chemother. Pharmacol.
, vol.68
, pp. 1565-1573
-
-
Saif, M.W.1
Sarantopoulos, J.2
Patnaik, A.3
Tolcher, A.W.4
Takimoto, C.5
Beeram, M.6
-
308
-
-
50349093533
-
Phase I/II study of a 3 weekly oral taxane (DJ-927) in patients with recurrent, advanced non-small cell lung cancer
-
Baas, P., Szczesna, A., Albert, I., Milanowski, J., Juhász, E., Sztancsik, Z., von Pawel, J., Oyama, R., and Burgers, S. (2008) Phase I/II study of a 3 weekly oral taxane (DJ-927) in patients with recurrent, advanced non-small cell lung cancer J. Thorac. Oncol. 3, 745-750 10.1097/JTO.0b013e31817c73ff
-
(2008)
J. Thorac. Oncol.
, vol.3
, pp. 745-750
-
-
Baas, P.1
Szczesna, A.2
Albert, I.3
Milanowski, J.4
Juhász, E.5
Sztancsik, Z.6
Von Pawel, J.7
Oyama, R.8
Burgers, S.9
-
309
-
-
84885948345
-
Taxanes: Old drugs, new oral formulations
-
Jibodh, R. A., Lagas, J. S., Nuijen, B., Beijnen, J. H., and Schellens, J. H. (2013) Taxanes: old drugs, new oral formulations Eur. J. Pharmacol. 717, 40-46 10.1016/j.ejphar.2013.02.058
-
(2013)
Eur. J. Pharmacol.
, vol.717
, pp. 40-46
-
-
Jibodh, R.A.1
Lagas, J.S.2
Nuijen, B.3
Beijnen, J.H.4
Schellens, J.H.5
-
310
-
-
84896308812
-
The discovery and development of hepatitis C virus NS5A replication complex inhibitors
-
Belema, M., Lopez, O. D., Bender, J. A., Romine, J. L., Laurent, D. R., Langley, D. R., Lemm, J. A., O'Boyle, D. R., II, Sun, J.-H., Wang, C., Fridell, R. A., and Meanwell, N. A. (2014) The discovery and development of hepatitis C virus NS5A replication complex inhibitors J. Med. Chem. 57, 1643-1672 10.1021/jm401793m
-
(2014)
J. Med. Chem.
, vol.57
, pp. 1643-1672
-
-
Belema, M.1
Lopez, O.D.2
Bender, J.A.3
Romine, J.L.4
Laurent, D.R.5
Langley, D.R.6
Lemm, J.A.7
O'Boyle, D.R.8
Sun, J.-H.9
Wang, C.10
Fridell, R.A.11
Meanwell, N.A.12
-
311
-
-
84896272204
-
Hepatitis C virus NS5A replication complex inhibitors: The discovery of daclatasvir
-
Belema, M., Nguyen, V. N., Bachand, C., Deon, D. H., Goodrich, J. T., James, C. A., Lavoie, R., Lopez, O. D., Martel, A., Romine, J. L., Ruediger, E. H., Snyder, L. B., St. Laurent, D. R., Yang, F., Zhu, J., Wong, H. S., Langley, D. R., Adams, S. P., Cantor, G. H., Chimalakonda, A., Fura, A., Johnson, B. M., Knipe, J. O., Parker, D. D., Santone, K. S., Fridell, R. A., Lemm, J. A., O'Boyle, D. R., II, Colonno, R. J., Gao, M., Meanwell, N. A., and Hamann, L. G. (2014) Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir J. Med. Chem. 57, 2013-2032 10.1021/jm401836p
-
(2014)
J. Med. Chem.
, vol.57
, pp. 2013-2032
-
-
Belema, M.1
Nguyen, V.N.2
Bachand, C.3
Deon, D.H.4
Goodrich, J.T.5
James, C.A.6
Lavoie, R.7
Lopez, O.D.8
Martel, A.9
Romine, J.L.10
Ruediger, E.H.11
Snyder, L.B.12
St. Laurent, D.R.13
Yang, F.14
Zhu, J.15
Wong, H.S.16
Langley, D.R.17
Adams, S.P.18
Cantor, G.H.19
Chimalakonda, A.20
Fura, A.21
Johnson, B.M.22
Knipe, J.O.23
Parker, D.D.24
Santone, K.S.25
Fridell, R.A.26
Lemm, J.A.27
O'Boyle, D.R.28
Colonno, R.J.29
Gao, M.30
Meanwell, N.A.31
Hamann, L.G.32
more..
-
312
-
-
84961695969
-
A comprehensive insight into the chemical space and ADME features of small molecule NS5A inhibitors
-
in press
-
Ivanenkov, Y. A., Veselov, M. S., Shakhbazyan, A. G., Aladinskiy, V. A., Aladinskaya, A. V., Yartseva, S. M., Majouga, A. G., Vantskul, A. S., Leonov, S. V., Ivachtchenko, A. V., and Koteliansky, V. E. A comprehensive insight into the chemical space and ADME features of small molecule NS5A inhibitors. Curr. Top. Med. Chem. 2015, in press
-
(2015)
Curr. Top. Med. Chem.
-
-
Ivanenkov, Y.A.1
Veselov, M.S.2
Shakhbazyan, A.G.3
Aladinskiy, V.A.4
Aladinskaya, A.V.5
Yartseva, S.M.6
Majouga, A.G.7
Vantskul, A.S.8
Leonov, S.V.9
Ivachtchenko, A.V.10
Koteliansky, V.E.11
-
313
-
-
84903819948
-
The discovery of potent nonstructural protein 5A (NS5A) inhibitors with a unique resistance profile - Part 1
-
Tran, T. D., Wakenhut, F., Pickford, C., Shaw, S., Westby, M., Smith-Burchnell, C., Watson, L., Paradowski, M., Milbank, J., Brimage, R. A., Halstead, R., Glen, R., Wilson, C. P., Adam, F., Hay, D., Chiva, J. Y., Nichols, C., Blakemore, D. C., Gardner, I., Dayal, S., Pike, A., Webster, R., and Pryde, D. C. (2014) The discovery of potent nonstructural protein 5A (NS5A) inhibitors with a unique resistance profile-part 1 ChemMedChem 9, 1378-1386 10.1002/cmdc.201400045
-
(2014)
ChemMedChem
, vol.9
, pp. 1378-1386
-
-
Tran, T.D.1
Wakenhut, F.2
Pickford, C.3
Shaw, S.4
Westby, M.5
Smith-Burchnell, C.6
Watson, L.7
Paradowski, M.8
Milbank, J.9
Brimage, R.A.10
Halstead, R.11
Glen, R.12
Wilson, C.P.13
Adam, F.14
Hay, D.15
Chiva, J.Y.16
Nichols, C.17
Blakemore, D.C.18
Gardner, I.19
Dayal, S.20
Pike, A.21
Webster, R.22
Pryde, D.C.23
more..
-
314
-
-
84903818637
-
The discovery of potent nonstructural protein 5A (NS5A) inhibitors with a unique resistance profile - Part 2
-
Wakenhut, F., Tran, T. D., Pickford, C., Shaw, S., Westby, M., Smith-Burchnell, C., Watson, L., Paradowski, M., Milbank, J., Stonehouse, D., Cheung, K., Wybrow, R., Daverio, F., Crook, S., Statham, K., Leese, D., Stead, D., Adam, F., Hay, D., Roberts, L. R., Chiva, J. Y., Nichols, C., Blakemore, D. C., Goetz, G. H., Che, Y., Gardner, I., Dayal, S., Pike, A., Webster, R., and Pryde, D. C. (2014) The discovery of potent nonstructural protein 5A (NS5A) inhibitors with a unique resistance profile-part 2 ChemMedChem 9, 1387-1396 10.1002/cmdc.201400046
-
(2014)
ChemMedChem
, vol.9
, pp. 1387-1396
-
-
Wakenhut, F.1
Tran, T.D.2
Pickford, C.3
Shaw, S.4
Westby, M.5
Smith-Burchnell, C.6
Watson, L.7
Paradowski, M.8
Milbank, J.9
Stonehouse, D.10
Cheung, K.11
Wybrow, R.12
Daverio, F.13
Crook, S.14
Statham, K.15
Leese, D.16
Stead, D.17
Adam, F.18
Hay, D.19
Roberts, L.R.20
Chiva, J.Y.21
Nichols, C.22
Blakemore, D.C.23
Goetz, G.H.24
Che, Y.25
Gardner, I.26
Dayal, S.27
Pike, A.28
Webster, R.29
Pryde, D.C.30
more..
-
315
-
-
84964589478
-
HCV NS3/4a Protease Inhibitors: Simeprevir (TMC-435350), Vaniprevir (MK-7009) and MK-5172
-
(Desai M. and Meanwell N.A., Eds.) Chapter 7, RSC Drug Discovery Series No. 32, RSC Publishing, Cambridge, England
-
McCauley, J. A., Rudd, M. T., and Liverton, N. J. (2013) HCV NS3/4a Protease Inhibitors: Simeprevir (TMC-435350), Vaniprevir (MK-7009) and MK-5172, Successful Strategies for the Discovery of Antiviral Drugs (Desai, M. and Meanwell, N. A., Eds.) Chapter 7, pp 189-247, RSC Drug Discovery Series No. 32, RSC Publishing, Cambridge, England.
-
(2013)
Successful Strategies for the Discovery of Antiviral Drugs
, pp. 189-247
-
-
McCauley, J.A.1
Rudd, M.T.2
Liverton, N.J.3
-
316
-
-
84958757471
-
Drug-drug interactions with the NS3/4A protease inhibitor simeprevir
-
Ouwerkerk-Mahadevan, S., Snoeys, J., Peeters, M., Beumont-Mauviel, M., and Simion, A. (2016) Drug-drug interactions with the NS3/4A protease inhibitor simeprevir Clin. Pharmacokinet. 55, 197-208 10.1007/s40262-015-0314-y
-
(2016)
Clin. Pharmacokinet.
, vol.55
, pp. 197-208
-
-
Ouwerkerk-Mahadevan, S.1
Snoeys, J.2
Peeters, M.3
Beumont-Mauviel, M.4
Simion, A.5
-
317
-
-
84948586560
-
Asunaprevir: A review of preclinical and clinical pharmacokinetics and drug-drug interactions
-
Eley, T., Garimella, T., Li, W., and Bertz, R. J. (2015) Asunaprevir: a review of preclinical and clinical pharmacokinetics and drug-drug interactions Clin. Pharmacokinet. 54, 1205-1222 10.1007/s40262-015-0299-6
-
(2015)
Clin. Pharmacokinet.
, vol.54
, pp. 1205-1222
-
-
Eley, T.1
Garimella, T.2
Li, W.3
Bertz, R.J.4
-
318
-
-
84883178669
-
Pharmacokinetics of a three-way drug interaction between danoprevir, ritonavir and the organic anion transporting polypeptide (OATP) inhibitor ciclosporin
-
Brennan, B. J., Moreira, S. A., Morcos, P. N., Navarro, M. T., Asthappan, J., Goelzer, P., Weigl, P., and Smith, P. F. (2013) Pharmacokinetics of a three-way drug interaction between danoprevir, ritonavir and the organic anion transporting polypeptide (OATP) inhibitor ciclosporin Clin. Pharmacokinet. 52, 805-813 10.1007/s40262-013-0077-2
-
(2013)
Clin. Pharmacokinet.
, vol.52
, pp. 805-813
-
-
Brennan, B.J.1
Moreira, S.A.2
Morcos, P.N.3
Navarro, M.T.4
Asthappan, J.5
Goelzer, P.6
Weigl, P.7
Smith, P.F.8
-
319
-
-
56749177102
-
Permeability evaluation of peptidic HCV protease inhibitors in Caco-2 cells-correlation with in vivo absorption predicted in humans
-
Li, C., Liu, T., Broske, L., Brisson, J. M., Uss, A. S., Njoroge, F. G., Morrison, R. A., and Cheng, K. C. (2008) Permeability evaluation of peptidic HCV protease inhibitors in Caco-2 cells-correlation with in vivo absorption predicted in humans Biochem. Pharmacol. 76, 1757-1764 10.1016/j.bcp.2008.09.005
-
(2008)
Biochem. Pharmacol.
, vol.76
, pp. 1757-1764
-
-
Li, C.1
Liu, T.2
Broske, L.3
Brisson, J.M.4
Uss, A.S.5
Njoroge, F.G.6
Morrison, R.A.7
Cheng, K.C.8
-
320
-
-
70449533153
-
Hepatitis C virus NS3 protease inhibitors: Large, flexible molecules of peptide origin show satisfactory permeability across Caco-2 cells
-
Bergström, C. A., Bolin, S., Artursson, P., Rönn, R., and Sandström, A. (2009) Hepatitis C virus NS3 protease inhibitors: large, flexible molecules of peptide origin show satisfactory permeability across Caco-2 cells Eur. J. Pharm. Sci. 38, 556-563 10.1016/j.ejps.2009.10.004
-
(2009)
Eur. J. Pharm. Sci.
, vol.38
, pp. 556-563
-
-
Bergström, C.A.1
Bolin, S.2
Artursson, P.3
Rönn, R.4
Sandström, A.5
-
321
-
-
84896258592
-
Discovery and early clinical evaluation of BMS-605339, a potent and orally efficacious tripeptidic acylsulfonamide NS3 protease inhibitor for the treatment of hepatitis C virus infection
-
Scola, P. M., Wang, A., Good, A. C., Sun, L., Combrink, K. D., Campbell, J. A., Chen, J., Tu, Y., Sin, N., Venables, B. L., Sit, S. Y., Chen, Y., Cocuzza, A., Bilder, D. M., D'Andrea, S., Zheng, B., Hewawasam, P., Ding, M., Thuring, J., Hernandez, D., Yu, F., Falk, P., Zhai, G., Sheaffer, A. K., Chen, C., Lee, M. S., Barry, D., Knipe, J. O., Han, Y. H., Jenkins, S., Gesenberg, C., Sinz, M. W., Santone, K. S., Zvyaga, T., Rajamani, R., Klei, H. E., Colonno, R. J., Grasela, D. M., Hughes, E., Chien, C., Adams, S., Levesque, P. C., Li, D., Zhu, J., Meanwell, N. A., and McPhee, F. (2014) Discovery and early clinical evaluation of BMS-605339, a potent and orally efficacious tripeptidic acylsulfonamide NS3 protease inhibitor for the treatment of hepatitis C virus infection J. Med. Chem. 57, 1708-1729 10.1021/jm401840s
-
(2014)
J. Med. Chem.
, vol.57
, pp. 1708-1729
-
-
Scola, P.M.1
Wang, A.2
Good, A.C.3
Sun, L.4
Combrink, K.D.5
Campbell, J.A.6
Chen, J.7
Tu, Y.8
Sin, N.9
Venables, B.L.10
Sit, S.Y.11
Chen, Y.12
Cocuzza, A.13
Bilder, D.M.14
D'Andrea, S.15
Zheng, B.16
Hewawasam, P.17
Ding, M.18
Thuring, J.19
Hernandez, D.20
Yu, F.21
Falk, P.22
Zhai, G.23
Sheaffer, A.K.24
Chen, C.25
Lee, M.S.26
Barry, D.27
Knipe, J.O.28
Han, Y.H.29
Jenkins, S.30
Gesenberg, C.31
Sinz, M.W.32
Santone, K.S.33
Zvyaga, T.34
Rajamani, R.35
Klei, H.E.36
Colonno, R.J.37
Grasela, D.M.38
Hughes, E.39
Chien, C.40
Adams, S.41
Levesque, P.C.42
Li, D.43
Zhu, J.44
Meanwell, N.A.45
McPhee, F.46
more..
-
322
-
-
41849092643
-
Molecular modeling based approach to potent P2-P4 macrocyclic inhibitors of hepatitis C NS3/4A protease
-
Liverton, N. J., Holloway, M. K., McCauley, J. A., Rudd, M. T., Butcher, J. W., Carroll, S. S., DiMuzio, J., Fandozzi, C., Gilbert, K. F., Mao, S. S., McIntyre, C. J., Nguyen, K. T., Romano, J. J., Stahlhut, M., Wan, B. L., Olsen, D. B., and Vacca, J. P. (2008) Molecular modeling based approach to potent P2-P4 macrocyclic inhibitors of hepatitis C NS3/4A protease J. Am. Chem. Soc. 130, 4607-4609 10.1021/ja711120r
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 4607-4609
-
-
Liverton, N.J.1
Holloway, M.K.2
McCauley, J.A.3
Rudd, M.T.4
Butcher, J.W.5
Carroll, S.S.6
DiMuzio, J.7
Fandozzi, C.8
Gilbert, K.F.9
Mao, S.S.10
McIntyre, C.J.11
Nguyen, K.T.12
Romano, J.J.13
Stahlhut, M.14
Wan, B.L.15
Olsen, D.B.16
Vacca, J.P.17
-
323
-
-
68549135158
-
Inhibitors of the hepatitis C virus NS3 protease with basic amine functionality at the P3-amino acid N-terminus: Discovery and optimization of a new series of P2-P4 macrocycles
-
Harper, S., Ferrara, M., Crescenzi, B., Pompei, M., Palumbi, M. C., DiMuzio, J. M., Donghi, M., Fiore, F., Koch, U., Liverton, N. J., Pesci, S., Petrocchi, A., Rowley, M., Summa, V., and Gardelli, C. (2009) Inhibitors of the hepatitis C virus NS3 protease with basic amine functionality at the P3-amino acid N-terminus: discovery and optimization of a new series of P2-P4 macrocycles J. Med. Chem. 52, 4820-4837 10.1021/jm900372w
-
(2009)
J. Med. Chem.
, vol.52
, pp. 4820-4837
-
-
Harper, S.1
Ferrara, M.2
Crescenzi, B.3
Pompei, M.4
Palumbi, M.C.5
DiMuzio, J.M.6
Donghi, M.7
Fiore, F.8
Koch, U.9
Liverton, N.J.10
Pesci, S.11
Petrocchi, A.12
Rowley, M.13
Summa, V.14
Gardelli, C.15
-
324
-
-
84896292745
-
The discovery of asunaprevir (BMS-650032), an orally efficacious NS3 protease inhibitor for the treatment of hepatitis C virus infection
-
Scola, P. M., Sun, L.-Q., Wang, A. X., Chen, J., Sin, N., Venables, B. L., Sit, S.-Y., Chen, Y., Cocuzza, A., Bilder, D. M., D'Andrea, S. V., Zheng, B., Hewawasam, P., Tu, Y., Friborg, J., Falk, P., Hernandez, D., Levine, S., Chen, C., Yu, F., Sheaffer, A. K., Zhai, G., Barry, D., Knipe, J. O., Han, Y.-H., Schartman, R., Donoso, M., Mosure, K., Sinz, M. W., Zvyaga, T., Good, A. C., Rajamani, R., Kish, K., Tredup, J., Klei, H. E., Gao, Q., Mueller, L., Colonno, R. J., Grasela, D. M., Adams, S. P., Loy, J., Levesque, P. C., Sun, H., Shi, H., Sun, L., Warner, W., Li, D., Zhu, J., Meanwell, N. A., and McPhee, F. (2014) The discovery of asunaprevir (BMS-650032), an orally efficacious NS3 protease inhibitor for the treatment of hepatitis C virus infection J. Med. Chem. 57, 1730-1752 10.1021/jm500297k
-
(2014)
J. Med. Chem.
, vol.57
, pp. 1730-1752
-
-
Scola, P.M.1
Sun, L.-Q.2
Wang, A.X.3
Chen, J.4
Sin, N.5
Venables, B.L.6
Sit, S.-Y.7
Chen, Y.8
Cocuzza, A.9
Bilder, D.M.10
D'Andrea, S.V.11
Zheng, B.12
Hewawasam, P.13
Tu, Y.14
Friborg, J.15
Falk, P.16
Hernandez, D.17
Levine, S.18
Chen, C.19
Yu, F.20
Sheaffer, A.K.21
Zhai, G.22
Barry, D.23
Knipe, J.O.24
Han, Y.-H.25
Schartman, R.26
Donoso, M.27
Mosure, K.28
Sinz, M.W.29
Zvyaga, T.30
Good, A.C.31
Rajamani, R.32
Kish, K.33
Tredup, J.34
Klei, H.E.35
Gao, Q.36
Mueller, L.37
Colonno, R.J.38
Grasela, D.M.39
Adams, S.P.40
Loy, J.41
Levesque, P.C.42
Sun, H.43
Shi, H.44
Sun, L.45
Warner, W.46
Li, D.47
Zhu, J.48
Meanwell, N.A.49
McPhee, F.50
more..
-
325
-
-
84901277262
-
Preclinical pharmacokinetics and in vitro metabolism of BMS-605339: A novel HCV NS3 protease inhibitor
-
Jenkins, S., Scola, P., McPhee, F., Knipe, J., Gesenberg, C., Sinz, M., Arora, V., Pilcher, G., and Santone, K. (2014) Preclinical pharmacokinetics and in vitro metabolism of BMS-605339: a novel HCV NS3 protease inhibitor J. Pharm. Sci. 103, 1891-1902 10.1002/jps.23959
-
(2014)
J. Pharm. Sci.
, vol.103
, pp. 1891-1902
-
-
Jenkins, S.1
Scola, P.2
McPhee, F.3
Knipe, J.4
Gesenberg, C.5
Sinz, M.6
Arora, V.7
Pilcher, G.8
Santone, K.9
-
326
-
-
84939271207
-
Preclinical pharmacokinetics and in vitro metabolism of asunaprevir (BMS-650032), a potent hepatitis C virus NS3 protease inhibitor
-
Mosure, K. W., Knipe, J. O., Browning, M., Arora, V., Shu, Y. Z., Phillip, T., Mcphee, F., Scola, P., Balakrishnan, A., Soars, M. G., Santone, K., and Sinz, M. (2015) Preclinical pharmacokinetics and in vitro metabolism of asunaprevir (BMS-650032), a potent hepatitis C virus NS3 protease inhibitor J. Pharm. Sci. 104, 2813-2823 10.1002/jps.24356
-
(2015)
J. Pharm. Sci.
, vol.104
, pp. 2813-2823
-
-
Mosure, K.W.1
Knipe, J.O.2
Browning, M.3
Arora, V.4
Shu, Y.Z.5
Phillip, T.6
Mcphee, F.7
Scola, P.8
Balakrishnan, A.9
Soars, M.G.10
Santone, K.11
Sinz, M.12
-
327
-
-
33847381100
-
A decade of fragment-based drug design: Strategic advances and lessons learned
-
Hajduk, P. J. and Greer, J. (2007) A decade of fragment-based drug design: strategic advances and lessons learned Nat. Rev. Drug Discovery 6, 211-219 10.1038/nrd2220
-
(2007)
Nat. Rev. Drug Discovery
, vol.6
, pp. 211-219
-
-
Hajduk, P.J.1
Greer, J.2
-
328
-
-
67649341990
-
From fragment to clinical candidate - A historical perspective
-
Chessari, G. and Woodhead, A. J. (2009) From fragment to clinical candidate-a historical perspective Drug Discovery Today 14, 668-675 10.1016/j.drudis.2009.04.007
-
(2009)
Drug Discovery Today
, vol.14
, pp. 668-675
-
-
Chessari, G.1
Woodhead, A.J.2
-
329
-
-
84860511479
-
Experiences in fragment-based drug discovery
-
Murray, C. W., Verdonk, M. L., and Rees, D. C. (2012) Experiences in fragment-based drug discovery Trends Pharmacol. Sci. 33, 224-232 10.1016/j.tips.2012.02.006
-
(2012)
Trends Pharmacol. Sci.
, vol.33
, pp. 224-232
-
-
Murray, C.W.1
Verdonk, M.L.2
Rees, D.C.3
-
330
-
-
84862869077
-
Fragment-based approaches in drug discovery and chemical biology
-
Scott, D. E., Coyne, A. G., Hudson, S. A., and Abell, C. (2012) Fragment-based approaches in drug discovery and chemical biology Biochemistry 51, 4990-5003 10.1021/bi3005126
-
(2012)
Biochemistry
, vol.51
, pp. 4990-5003
-
-
Scott, D.E.1
Coyne, A.G.2
Hudson, S.A.3
Abell, C.4
-
331
-
-
84867683811
-
Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function
-
Saalau-Bethell, S. M., Woodhead, A. J., Chessari, G., Carr, M. G., Coyle, J., Graham, B., Hiscock, S. D., Murray, C. W., Pathuri, P., Rich, S. J., Richardson, C. J., Williams, P. A., and Jhoti, H. (2012) Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function Nat. Chem. Biol. 8, 920-925 10.1038/nchembio.1081
-
(2012)
Nat. Chem. Biol.
, vol.8
, pp. 920-925
-
-
Saalau-Bethell, S.M.1
Woodhead, A.J.2
Chessari, G.3
Carr, M.G.4
Coyle, J.5
Graham, B.6
Hiscock, S.D.7
Murray, C.W.8
Pathuri, P.9
Rich, S.J.10
Richardson, C.J.11
Williams, P.A.12
Jhoti, H.13
-
332
-
-
84872038006
-
Inflation of correlation in the pursuit of drug-likeness
-
Kenny, P. W. and Montanari, C. A. (2013) Inflation of correlation in the pursuit of drug-likeness J. Comput.-Aided Mol. Des. 27, 1-13 10.1007/s10822-012-9631-5
-
(2013)
J. Comput.-Aided Mol. Des.
, vol.27
, pp. 1-13
-
-
Kenny, P.W.1
Montanari, C.A.2
-
333
-
-
84856405594
-
Going further than Lipinski's rule in drug design
-
Walters, W. P. (2012) Going further than Lipinski's rule in drug design Expert Opin. Drug Discovery 7, 99-107 10.1517/17460441.2012.648612
-
(2012)
Expert Opin. Drug Discovery
, vol.7
, pp. 99-107
-
-
Walters, W.P.1
-
334
-
-
84899101946
-
Curing chronic hepatitis C - The arc of a medical triumph
-
Chung, R. T. and Baumert, T. F. (2014) Curing chronic hepatitis C - the arc of a medical triumph N. Engl. J. Med. 370, 1576-1578 10.1056/NEJMp1400986
-
(2014)
N. Engl. J. Med.
, vol.370
, pp. 1576-1578
-
-
Chung, R.T.1
Baumert, T.F.2
-
335
-
-
84655176137
-
Understanding drug-likeness
-
Ursu, O., Rayan, A., Goldblum, A., and Oprea, T. I. (2011) Understanding drug-likeness Wiley Interdiscip. Rev.: Comput. Mol. Sci. 1, 760-781 10.1002/wcms.52
-
(2011)
Wiley Interdiscip. Rev.: Comput. Mol. Sci.
, vol.1
, pp. 760-781
-
-
Ursu, O.1
Rayan, A.2
Goldblum, A.3
Oprea, T.I.4
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