-
1
-
-
79960176452
-
Progress in structure based drug design for G protein-coupled receptors
-
M. Congreve Progress in structure based drug design for G protein-coupled receptors J. Med. Chem. 54 2011 4283 4311
-
(2011)
J. Med. Chem.
, vol.54
, pp. 4283-4311
-
-
Congreve, M.1
-
2
-
-
22944457221
-
International Union of Pharmacology. XLVI. G protein-coupled receptor list
-
DOI 10.1124/pr.57.2.5
-
S.M. Foord International Union of Pharmacology. XLVI. G protein-coupled receptor list Pharmacol. Rev. 57 2005 279 288 (Pubitemid 41043887)
-
(2005)
Pharmacological Reviews
, vol.57
, Issue.2
, pp. 279-288
-
-
Foord, S.M.1
Bonner, T.I.2
Neubig, R.R.3
Rosser, E.M.4
Pin, J.-P.5
Davenport, A.P.6
Spedding, M.7
Harmar, A.J.8
-
4
-
-
84863481144
-
Novel platelet ADP P2Y12 inhibitors in the treatment of acute coronary syndrome
-
doi:10.1111/j.1755-5922.2011.00262.x in press
-
Tan, G.M. et al. (in press) Novel platelet ADP P2Y12 inhibitors in the treatment of acute coronary syndrome. Cardiovasc. Ther. DOI:10.1111/j.1755-5922. 2011.00262.x
-
Cardiovasc. Ther.
-
-
Tan, G.M.1
-
5
-
-
0038681342
-
The bicyclam AMD3100 story
-
DOI 10.1038/nrd1134
-
E. De Clercq The bicyclam AMD3100 story Nat. Rev. Drug Discov. 2 2003 581 587 (Pubitemid 37361749)
-
(2003)
Nature Reviews Drug Discovery
, vol.2
, Issue.7
, pp. 581-587
-
-
De Clercq, E.1
-
6
-
-
0037077308
-
The immune modulator FTY720 targets sphingosine 1-phosphate receptors
-
DOI 10.1074/jbc.C200176200
-
V. Brinkmann The immune modulator FTY720 targets sphingosine 1-phosphate receptors J. Biol. Chem. 277 2002 21453 21457 (Pubitemid 34952287)
-
(2002)
Journal of Biological Chemistry
, vol.277
, Issue.24
, pp. 21453-21457
-
-
Brinkmann, V.1
Davis, M.D.2
Heise, C.E.3
Albert, R.4
Cottens, S.5
Hof, R.6
Bruns, C.7
Prieschl, E.8
Baumruker, T.9
Hiestand, P.10
Foster, C.A.11
Zollinger, M.12
Lynch, K.R.13
-
7
-
-
0018904885
-
(-)Baclofen decreases neurotransmitter release in the mammalian CNS by an action at a novel GABA receptor
-
DOI 10.1038/283092a0
-
N.G. Bowery (-)Baclofen decreases neurotransmitter release in the mammalian CNS by an action at a novel GABA receptor Nature 283 1980 92 94 (Pubitemid 10170892)
-
(1980)
Nature
, vol.283
, Issue.5742
, pp. 92-94
-
-
Bowery, N.G.1
Hill, D.R.2
Hudson, A.L.3
-
8
-
-
79960886001
-
Pharmacology of opioids in the treatment of chronic pain syndromes
-
R. Vallejo Pharmacology of opioids in the treatment of chronic pain syndromes Pain Physician 14 2011 E343 E360
-
(2011)
Pain Physician
, vol.14
-
-
Vallejo, R.1
-
9
-
-
41649121723
-
High throughput screening for orphan and liganded GPCRs
-
S.H. Xiao High throughput screening for orphan and liganded GPCRs Comb. Chem. High Throughput Screen. 11 2008 195 215
-
(2008)
Comb. Chem. High Throughput Screen.
, vol.11
, pp. 195-215
-
-
Xiao, S.H.1
-
10
-
-
79952747781
-
Lessons learned from candidate drug attrition
-
J.R. Empfield, and P.D. Leeson Lessons learned from candidate drug attrition IDrugs 13 2010 869 873
-
(2010)
IDrugs
, vol.13
, pp. 869-873
-
-
Empfield, J.R.1
Leeson, P.D.2
-
11
-
-
0031024171
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
DOI 10.1016/S0169-409X(96)00423-1, PII S0169409X96004231
-
C.A. Lipinski Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings Adv. Drug Deliv. Rev. 23 1997 3 25 (Pubitemid 27046991)
-
(1997)
Advanced Drug Delivery Reviews
, vol.23
, Issue.1-3
, pp. 3-25
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
12
-
-
49849094738
-
Physiochemical drug properties associated with in vivo toxicological outcomes
-
J.D. Hughes Physiochemical drug properties associated with in vivo toxicological outcomes Biorg. Med. Chem. Lett. 18 2008 4872 4875
-
(2008)
Biorg. Med. Chem. Lett.
, vol.18
, pp. 4872-4875
-
-
Hughes, J.D.1
-
13
-
-
35748934487
-
The influence of drug-like concepts on decision-making in medicinal chemistry
-
DOI 10.1038/nrd2445, PII NRD2445
-
P.D. Leeson, and B. Springthorpe The influence of drug-like concepts on decision-making in medicinal chemistry Nat. Rev. Drug Discov. 6 2007 881 890 (Pubitemid 350042396)
-
(2007)
Nature Reviews Drug Discovery
, vol.6
, Issue.11
, pp. 881-890
-
-
Leeson, P.D.1
Springthorpe, B.2
-
14
-
-
21544474149
-
Structural biology and drug discovery
-
M. Congreve Structural biology and drug discovery Drug Discov. Today 10 2005 895 907
-
(2005)
Drug Discov. Today
, vol.10
, pp. 895-907
-
-
Congreve, M.1
-
15
-
-
57749188299
-
Targeting cancer with small molecule kinase inhibitors
-
J. Zhang Targeting cancer with small molecule kinase inhibitors Nat. Rev. Cancer 9 2009 28 39
-
(2009)
Nat. Rev. Cancer
, vol.9
, pp. 28-39
-
-
Zhang, J.1
-
16
-
-
84855799592
-
Diversity and modularity of G protein-coupled receptor structures
-
V. Katritch Diversity and modularity of G protein-coupled receptor structures Trends Pharmacol. Sci. 33 2011 17 27
-
(2011)
Trends Pharmacol. Sci.
, vol.33
, pp. 17-27
-
-
Katritch, V.1
-
17
-
-
79954425389
-
Structural insights into adrenergic receptor function and pharmacology
-
B.K. Kobilka Structural insights into adrenergic receptor function and pharmacology Trends Pharmacol. Sci. 32 2011 213 218
-
(2011)
Trends Pharmacol. Sci.
, vol.32
, pp. 213-218
-
-
Kobilka, B.K.1
-
18
-
-
58149203324
-
Discovery of new GPCR biology: One receptor structure at a time
-
M.A. Hanson, and R.C. Stevens Discovery of new GPCR biology: one receptor structure at a time Structure 17 2009 8 14
-
(2009)
Structure
, vol.17
, pp. 8-14
-
-
Hanson, M.A.1
Stevens, R.C.2
-
19
-
-
79960181417
-
2A receptor in complex with ZM241385 and the xanthines XAC and caffeine
-
2A receptor in complex with ZM241385 and the xanthines XAC and caffeine Structure 19 2011 1283 1293
-
(2011)
Structure
, vol.19
, pp. 1283-1293
-
-
Doré, A.1
-
20
-
-
36448995359
-
2-adrenergic G protein-coupled receptor
-
DOI 10.1126/science.1150577
-
2-adrenergic G protein-coupled receptor Science 318 2007 1258 1265 (Pubitemid 350172884)
-
(2007)
Science
, vol.318
, Issue.5854
, pp. 1258-1265
-
-
Cherezov, V.1
Rosenbaum, D.M.2
Hanson, M.A.3
Rasmussen, S.G.F.4
Foon, S.T.5
Kobilka, T.S.6
Choi, H.-J.7
Kuhn, P.8
Weis, W.I.9
Kobilka, B.K.10
Stevens, R.C.11
-
21
-
-
56749103466
-
2A adenosine receptor bound to an antagonist
-
2A adenosine receptor bound to an antagonist Science 322 2008 1211 1217
-
(2008)
Science
, vol.322
, pp. 1211-1217
-
-
Jaakola, V.P.1
-
22
-
-
78449305788
-
Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist
-
E.Y. Chien Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist Science 330 2010 1091 1095
-
(2010)
Science
, vol.330
, pp. 1091-1095
-
-
Chien, E.Y.1
-
23
-
-
85027927015
-
Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists
-
B. Wu Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists Science 330 2010 1066 1071
-
(2010)
Science
, vol.330
, pp. 1066-1071
-
-
Wu, B.1
-
24
-
-
79960070651
-
Structure of the human histamine H1 receptor complex with doxepin
-
T. Shimamura Structure of the human histamine H1 receptor complex with doxepin Nature 475 2011 65 70
-
(2011)
Nature
, vol.475
, pp. 65-70
-
-
Shimamura, T.1
-
25
-
-
78651411166
-
Structure of a nanobody-stabilized active state of the β2 adrenoceptor
-
S.G. Rasmussen Structure of a nanobody-stabilized active state of the β2 adrenoceptor Nature 469 2011 175 180
-
(2011)
Nature
, vol.469
, pp. 175-180
-
-
Rasmussen, S.G.1
-
26
-
-
84862777405
-
Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist
-
K. Haga Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist Nature 482 2012 547 551
-
(2012)
Nature
, vol.482
, pp. 547-551
-
-
Haga, K.1
-
27
-
-
78149501282
-
The properties of thermostabilised G protein-coupled receptors (StaRs) and their use in drug discovery
-
N. Robertson The properties of thermostabilised G protein-coupled receptors (StaRs) and their use in drug discovery Neuropharmacology 60 2011 36 44
-
(2011)
Neuropharmacology
, vol.60
, pp. 36-44
-
-
Robertson, N.1
-
29
-
-
79959564813
-
2A receptor structures reveal common features of GPCR activation
-
2A receptor structures reveal common features of GPCR activation Nature 474 2011 521 525
-
(2011)
Nature
, vol.474
, pp. 521-525
-
-
Lebon, G.1
-
30
-
-
78651405537
-
The structural basis for agonist and partial agonist action on a β1-adrenergic receptor
-
T. Warne The structural basis for agonist and partial agonist action on a β1-adrenergic receptor Nature 469 2011 241 244
-
(2011)
Nature
, vol.469
, pp. 241-244
-
-
Warne, T.1
-
31
-
-
80051521545
-
Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment
-
I. Kufareva Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment Structure 19 2011 1108 1126
-
(2011)
Structure
, vol.19
, pp. 1108-1126
-
-
Kufareva, I.1
-
34
-
-
0021871375
-
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
-
DOI 10.1021/jm00145a002
-
P.J. Goodford A computational procedure for determining energetically favorable binding sites on biologically important macromolecules J. Med. Chem. 28 1985 849 857 (Pubitemid 15012490)
-
(1985)
Journal of Medicinal Chemistry
, vol.28
, Issue.7
, pp. 849-857
-
-
Goodford, P.J.1
-
35
-
-
75749123456
-
High-throughput virtual screening of proteins using GRID molecular interaction fields
-
S. Sciabola High-throughput virtual screening of proteins using GRID molecular interaction fields J. Chem. Inf. Model. 50 2010 155 169
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 155-169
-
-
Sciabola, S.1
-
36
-
-
2342589483
-
New lead generation strategies for protein kinase inhibitors - Fragment based screening approaches
-
DOI 10.2174/1389557043487385
-
A. Gill New lead generation strategies for protein kinase inhibitors - fragment based screening approaches Mini Rev. Med. Chem. 3 2004 301 311 (Pubitemid 38854872)
-
(2004)
Mini-Reviews in Medicinal Chemistry
, vol.4
, Issue.3
, pp. 301-311
-
-
Gill, A.1
-
37
-
-
0030176923
-
The energetis of ligand binding at catecholamine receptors
-
DOI 10.1016/0165-6147(96)10025-0
-
P.G. Strange The energetics of ligand binding at catecholamine receptors Trends Pharmacol. Sci. 17 1996 238 244 (Pubitemid 26233104)
-
(1996)
Trends in Pharmacological Sciences
, vol.17
, Issue.7
, pp. 238-244
-
-
Strange, P.G.1
-
38
-
-
80054795187
-
GPCR agonist binding revealed by modeling and crystallography
-
V. Katritch, and R. Abagyan GPCR agonist binding revealed by modeling and crystallography Trends Pharmacol. Sci. 32 2011 637 643
-
(2011)
Trends Pharmacol. Sci.
, vol.32
, pp. 637-643
-
-
Katritch, V.1
Abagyan, R.2
-
39
-
-
80755125575
-
Comprehensive analysis of kinase inhibitor selectivity
-
M.I. Davis Comprehensive analysis of kinase inhibitor selectivity Nat. Biotechnol. 29 2011 1046 1051
-
(2011)
Nat. Biotechnol.
, vol.29
, pp. 1046-1051
-
-
Davis, M.I.1
-
41
-
-
34548461587
-
Charge-charge and cation-π interactions in ligand binding to G protein-coupled receptors
-
N. Dolker Charge-charge and cation-π interactions in ligand binding to G protein-coupled receptors Theor. Chem. Acc. 118 2007 579 588
-
(2007)
Theor. Chem. Acc.
, vol.118
, pp. 579-588
-
-
Dolker, N.1
-
42
-
-
79551610899
-
GPCR conformations: Implications for rational drug design
-
A.L. Parrill, and D.L. Bautista GPCR conformations: implications for rational drug design Pharmaceuticals 4 2011 7 43
-
(2011)
Pharmaceuticals
, vol.4
, pp. 7-43
-
-
Parrill, A.L.1
Bautista, D.L.2
-
44
-
-
79960156006
-
Biophysical mapping of the adenosine A2A receptor
-
A. Zhukov Biophysical mapping of the adenosine A2A receptor J. Med. Chem. 54 2011 4312 4323
-
(2011)
J. Med. Chem.
, vol.54
, pp. 4312-4323
-
-
Zhukov, A.1
-
45
-
-
84858034356
-
Discovery of 1,2,4-triazine derivatives as adenosine A2A antagonists using structure based drug design
-
M. Congreve Discovery of 1,2,4-triazine derivatives as adenosine A2A antagonists using structure based drug design J. Med. Chem. 55 2012 1898 1903
-
(2012)
J. Med. Chem.
, vol.55
, pp. 1898-1903
-
-
Congreve, M.1
-
46
-
-
0030466444
-
Just add water! The effect of water on the specificity of protein- ligand binding sites and its potential application to drug design
-
J.E. Ladbury Just add water! The effect of water on the specificity of protein-ligand binding sites and its potential application to drug design Chem. Biol. 3 1996 973 980 (Pubitemid 27058821)
-
(1996)
Chemistry and Biology
, vol.3
, Issue.12
, pp. 973-980
-
-
Ladbury, J.E.1
-
47
-
-
78049348054
-
Molecular binding: Under water's influence
-
G. Hummer Molecular binding: under water's influence Nat. Chem. 2 2010 906 907
-
(2010)
Nat. Chem.
, vol.2
, pp. 906-907
-
-
Hummer, G.1
-
48
-
-
4143121554
-
Free energy of ligand binding to protein: Evaluation of the contribution of water molecules by computational methods
-
P. Cozzini Free energy of ligand binding to protein: evaluation of the contribution of water molecules by computational methods Curr. Med. Chem. 11 2004 1345 1359
-
(2004)
Curr. Med. Chem.
, vol.11
, pp. 1345-1359
-
-
Cozzini, P.1
-
49
-
-
70350315092
-
Energetics of displacing water molecules from protein binding sites: Consequences for ligand optimization
-
J. Michel Energetics of displacing water molecules from protein binding sites: consequences for ligand optimization J. Am. Chem. Soc. 131 2009 15403 15411
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 15403-15411
-
-
Michel, J.1
-
50
-
-
84856776282
-
Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization
-
T. Beuming Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization Proteins 80 2012 871 883
-
(2012)
Proteins
, vol.80
, pp. 871-883
-
-
Beuming, T.1
-
51
-
-
81055130316
-
Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase
-
P.W. Synder Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase Proc. Natl. Acad. Sci. U.S.A. 108 2011 17889 17894
-
(2011)
Proc. Natl. Acad. Sci. U.S.A.
, vol.108
, pp. 17889-17894
-
-
Synder, P.W.1
-
52
-
-
79957585828
-
Contribution of explicit solvent effects to the binding affinity of small-molecule inhibitors in blood coagulation factor serene proteases
-
R. Abel Contribution of explicit solvent effects to the binding affinity of small-molecule inhibitors in blood coagulation factor serene proteases Chem. Med. Chem. 6 2011 1049 1066
-
(2011)
Chem. Med. Chem.
, vol.6
, pp. 1049-1066
-
-
Abel, R.1
-
53
-
-
77955869797
-
Hydration site thermodynamics explain SARs for triazolylpurines analogues binding to the A2A receptor
-
C. Higgs Hydration site thermodynamics explain SARs for triazolylpurines analogues binding to the A2A receptor ACS Med. Chem. Lett. 1 2010 160 164
-
(2010)
ACS Med. Chem. Lett.
, vol.1
, pp. 160-164
-
-
Higgs, C.1
-
54
-
-
33846302070
-
The role of internal water molecules in the structure and function of the rhodopsin family of G protein-coupled receptors
-
DOI 10.1002/cbic.200600429
-
L. Pardo The role of internal water molecules in the structure and function of the rhodopsin family of G protein-coupled receptors Chembiochem 8 2007 19 24 (Pubitemid 46121564)
-
(2007)
ChemBioChem
, vol.8
, Issue.1
, pp. 19-24
-
-
Pardo, L.1
Deupi, X.2
Dolker, N.3
Lopez-Rodriguez, M.L.4
Campillo, M.5
-
55
-
-
70149112575
-
Structural waters define a functional channel mediating activation of the GPCR, rhodopsin
-
T.E. Angel Structural waters define a functional channel mediating activation of the GPCR, rhodopsin Proc. Natl. Acad. Sci. U.S.A. 106 2009 14367 14372
-
(2009)
Proc. Natl. Acad. Sci. U.S.A.
, vol.106
, pp. 14367-14372
-
-
Angel, T.E.1
-
56
-
-
79956305477
-
Role of bulk water in hydrolysis of the rhodopsin chromophore
-
B. Jastrzebska Role of bulk water in hydrolysis of the rhodopsin chromophore J. Biol. Chem. 286 2011 18930 18937
-
(2011)
J. Biol. Chem.
, vol.286
, pp. 18930-18937
-
-
Jastrzebska, B.1
-
57
-
-
79952382815
-
Fragment screening of stabilized G-protein-couple receptors using biophysical methods
-
M. Congreve Fragment screening of stabilized G-protein-couple receptors using biophysical methods Methods Enzymol. 493 2011 115 136
-
(2011)
Methods Enzymol.
, vol.493
, pp. 115-136
-
-
Congreve, M.1
-
58
-
-
80051860673
-
From fragment screening to in vivo efficacy: Optimization of a series of 2-aminoquinolines as potent inhibitors of beta-site amyloid precursor protein cleaving enzyme 1 (BACE1)
-
Y. Cheng From fragment screening to in vivo efficacy: optimization of a series of 2-aminoquinolines as potent inhibitors of beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) J. Med. Chem. 54 2011 5836 5857
-
(2011)
J. Med. Chem.
, vol.54
, pp. 5836-5857
-
-
Cheng, Y.1
-
59
-
-
77957055780
-
Integrated methods for modeling G-protein coupled receptors
-
J.A. Ballesteros, and H. Weinstein Integrated methods for modeling G-protein coupled receptors Methods Neurosci. 25 1995 366 428
-
(1995)
Methods Neurosci.
, vol.25
, pp. 366-428
-
-
Ballesteros, J.A.1
Weinstein, H.2
-
60
-
-
84857254248
-
Crystal structure of a lipid G protein-coupled receptor
-
M.A. Hanson Crystal structure of a lipid G protein-coupled receptor Science 335 2012 851 855
-
(2012)
Science
, vol.335
, pp. 851-855
-
-
Hanson, M.A.1
|