-
1
-
-
33846502057
-
Hit and lead identification: Integrated technology-based approaches
-
R.A. Goodnow Jr. Hit and lead identification: integrated technology-based approaches Drug Discov. Today: Technol. 3 2006 367 375
-
(2006)
Drug Discov. Today: Technol.
, vol.3
, pp. 367-375
-
-
Goodnow, Jr.R.A.1
-
2
-
-
0030039619
-
The art and practice of structure-based drug design: A molecular modeling perspective
-
R.S. Bohacek The art and practice of structure-based drug design: a molecular modeling perspective Med. Res. Rev. 16 1996 3 50
-
(1996)
Med. Res. Rev.
, vol.16
, pp. 3-50
-
-
Bohacek, R.S.1
-
3
-
-
11144341956
-
Chemical space and biology
-
C.M. Dobson Chemical space and biology Nature 432 2004 824 828
-
(2004)
Nature
, vol.432
, pp. 824-828
-
-
Dobson, C.M.1
-
4
-
-
22044441118
-
Fragment-based lead discovery: Leads by design
-
R.A. Carr Fragment-based lead discovery: leads by design Drug Discov. Today 10 2005 987 992
-
(2005)
Drug Discov. Today
, vol.10
, pp. 987-992
-
-
Carr, R.A.1
-
5
-
-
46849089254
-
Recent developments in fragment-based drug discovery
-
M. Congreve Recent developments in fragment-based drug discovery J. Med. Chem. 51 2008 3661 3680
-
(2008)
J. Med. Chem.
, vol.51
, pp. 3661-3680
-
-
Congreve, M.1
-
6
-
-
67649494337
-
Transforming fragments into candidates: Small becomes big in medicinal chemistry
-
G.E. de Kloe Transforming fragments into candidates: small becomes big in medicinal chemistry Drug Discov. Today 14 2009 630 646
-
(2009)
Drug Discov. Today
, vol.14
, pp. 630-646
-
-
De Kloe, G.E.1
-
7
-
-
3042689621
-
Fragment-based drug discovery
-
D.A. Erlanson Fragment-based drug discovery J. Med. Chem. 47 2004 3463 3482
-
(2004)
J. Med. Chem.
, vol.47
, pp. 3463-3482
-
-
Erlanson, D.A.1
-
8
-
-
33751204422
-
Fragment-based lead discovery: A chemical update
-
D.A. Erlanson Fragment-based lead discovery: a chemical update Curr. Opin. Biotechnol. 17 2006 643 652
-
(2006)
Curr. Opin. Biotechnol.
, vol.17
, pp. 643-652
-
-
Erlanson, D.A.1
-
9
-
-
33749659675
-
SAR by NMR: Putting the pieces together
-
P.J. Hajduk SAR by NMR: putting the pieces together Mol. Interv. 6 2006 266 272
-
(2006)
Mol. Interv.
, vol.6
, pp. 266-272
-
-
Hajduk, P.J.1
-
10
-
-
33847381100
-
A decade of fragment-based drug design: Strategic advances and lessons learned
-
P.J. Hajduk, and J. Greer A decade of fragment-based drug design: strategic advances and lessons learned Nat. Rev. Drug Discov. 6 2007 211 219
-
(2007)
Nat. Rev. Drug Discov.
, vol.6
, pp. 211-219
-
-
Hajduk, P.J.1
Greer, J.2
-
11
-
-
35348922285
-
Fragment-based screening using X-ray crystallography and NMR spectroscopy
-
H. Jhoti Fragment-based screening using X-ray crystallography and NMR spectroscopy Curr. Opin. Chem. Biol. 11 2007 485 493
-
(2007)
Curr. Opin. Chem. Biol.
, vol.11
, pp. 485-493
-
-
Jhoti, H.1
-
12
-
-
33747595638
-
Fragment screening: An introduction
-
A.R. Leach Fragment screening: an introduction Mol. Biosyst. 2 2006 430 446
-
(2006)
Mol. Biosyst.
, vol.2
, pp. 430-446
-
-
Leach, A.R.1
-
13
-
-
72949114937
-
Advances in fragment-based drug discovery platforms
-
M. Orita Advances in fragment-based drug discovery platforms Expert Opin. Drug Discov. 4 2010 1125 1144
-
(2010)
Expert Opin. Drug Discov.
, vol.4
, pp. 1125-1144
-
-
Orita, M.1
-
14
-
-
4344592378
-
Fragment-based lead discovery
-
D.C. Rees Fragment-based lead discovery Nat. Rev. Drug Discov. 3 2004 660 672
-
(2004)
Nat. Rev. Drug Discov.
, vol.3
, pp. 660-672
-
-
Rees, D.C.1
-
16
-
-
16244388286
-
Virtual exploration of the small-molecule chemical universe below 160 Daltons
-
T. Fink Virtual exploration of the small-molecule chemical universe below 160 Daltons Angew. Chem. Int. Ed. Engl. 44 2005 1504 1508
-
(2005)
Angew. Chem. Int. Ed. Engl.
, vol.44
, pp. 1504-1508
-
-
Fink, T.1
-
17
-
-
34247194965
-
Virtual exploration of the chemical universe up to 11 atoms of C, N, O, F: Assembly of 26. 4 million structures (110. 9 million stereoisomers) and analysis for new ring systems, stereochemistry, physicochemical properties, compound classes, and drug discovery
-
T. Fink, and J.L. Reymond Virtual exploration of the chemical universe up to 11 atoms of C, N, O, F: assembly of 26. 4 million structures (110. 9 million stereoisomers) and analysis for new ring systems, stereochemistry, physicochemical properties, compound classes, and drug discovery J. Chem. Inf. Model. 47 2007 342 353
-
(2007)
J. Chem. Inf. Model.
, vol.47
, pp. 342-353
-
-
Fink, T.1
Reymond, J.L.2
-
18
-
-
0035324944
-
Molecular complexity and its impact on the probability of finding leads for drug discovery
-
M.M. Hann Molecular complexity and its impact on the probability of finding leads for drug discovery J. Chem. Inf. Comput. Sci. 41 2001 856 864
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 856-864
-
-
Hann, M.M.1
-
19
-
-
61649109015
-
The influence of lead discovery strategies on the properties of drug candidates
-
G.M. Keseru, and G.M. Makara The influence of lead discovery strategies on the properties of drug candidates Nat. Rev. Drug Discov. 8 2009 203 212
-
(2009)
Nat. Rev. Drug Discov.
, vol.8
, pp. 203-212
-
-
Keseru, G.M.1
Makara, G.M.2
-
20
-
-
33645319676
-
Overcoming roadblocks in lead optimization: A thermodynamic perspective
-
A.J. Ruben Overcoming roadblocks in lead optimization: a thermodynamic perspective Chem. Biol. Drug Des. 67 2006 2 4
-
(2006)
Chem. Biol. Drug Des.
, vol.67
, pp. 2-4
-
-
Ruben, A.J.1
-
21
-
-
0031024171
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
C.A. Lipinski Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings Adv. Drug Del. Rev. 23 1997 3 25
-
(1997)
Adv. Drug Del. Rev.
, vol.23
, pp. 3-25
-
-
Lipinski, C.A.1
-
22
-
-
0037468884
-
A comparison of physiochemical property profiles of development and marketed oral drugs
-
M.C. Wenlock A comparison of physiochemical property profiles of development and marketed oral drugs J. Med. Chem. 46 2003 1250 1256
-
(2003)
J. Med. Chem.
, vol.46
, pp. 1250-1256
-
-
Wenlock, M.C.1
-
23
-
-
39749181550
-
Generation of a set of simple, interpretable ADMET rules of thumb
-
M.P. Gleeson Generation of a set of simple, interpretable ADMET rules of thumb J. Med. Chem. 51 2008 817 834
-
(2008)
J. Med. Chem.
, vol.51
, pp. 817-834
-
-
Gleeson, M.P.1
-
24
-
-
1942453243
-
Ligand efficiency: A useful metric for lead selection
-
A.L. Hopkins Ligand efficiency: a useful metric for lead selection Drug Discov. Today 9 2004 430 431
-
(2004)
Drug Discov. Today
, vol.9
, pp. 430-431
-
-
Hopkins, A.L.1
-
25
-
-
17044403086
-
Ligand efficiency indices as guideposts for drug discovery
-
C. Abad-Zapatero, and J.T. Metz Ligand efficiency indices as guideposts for drug discovery Drug Discov. Today 10 2005 464 469
-
(2005)
Drug Discov. Today
, vol.10
, pp. 464-469
-
-
Abad-Zapatero, C.1
Metz, J.T.2
-
26
-
-
54449102045
-
Group efficiency: A guideline for hits-to-leads chemistry
-
M.L. Verdonk, and D.C. Rees Group efficiency: a guideline for hits-to-leads chemistry ChemMedChem 3 2008 1179 1180
-
(2008)
ChemMedChem
, vol.3
, pp. 1179-1180
-
-
Verdonk, M.L.1
Rees, D.C.2
-
27
-
-
34447109128
-
The role of molecular size in ligand efficiency
-
C.H. Reynolds The role of molecular size in ligand efficiency Bioorg. Med. Chem. Lett. 17 2007 4258 4261
-
(2007)
Bioorg. Med. Chem. Lett.
, vol.17
, pp. 4258-4261
-
-
Reynolds, C.H.1
-
28
-
-
58149422265
-
The role of past events in problem solving
-
J.J. Goodnow The role of past events in problem solving J. Exp. Psychol. 58 1959 456 461
-
(1959)
J. Exp. Psychol.
, vol.58
, pp. 456-461
-
-
Goodnow, J.J.1
-
29
-
-
43049088827
-
Ligand binding efficiency: Trends, physical basis, and implications
-
C.H. Reynolds Ligand binding efficiency: trends, physical basis, and implications J. Med. Chem. 51 2008 2432 2438
-
(2008)
J. Med. Chem.
, vol.51
, pp. 2432-2438
-
-
Reynolds, C.H.1
-
30
-
-
67650085841
-
Simple size-independent measure of ligand efficiency
-
J.W. Nissink Simple size-independent measure of ligand efficiency J. Chem. Inf. Model. 49 2009 1617 1622
-
(2009)
J. Chem. Inf. Model.
, vol.49
, pp. 1617-1622
-
-
Nissink, J.W.1
-
31
-
-
61649122550
-
'Golden Ratio' indices in fragment-based drug discovery
-
M. Orita 'Golden Ratio' indices in fragment-based drug discovery Drug Discov. Today 14 2009 321 328
-
(2009)
Drug Discov. Today
, vol.14
, pp. 321-328
-
-
Orita, M.1
-
32
-
-
35748934487
-
The influence of drug-like concepts on decision-making in medicinal chemistry
-
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
-
(2007)
Nat. Rev. Drug Discov.
, vol.6
, pp. 881-890
-
-
Leeson, P.D.1
Springthorpe, B.2
-
34
-
-
0141726877
-
A 'rule of three' for fragment-based lead discovery?
-
M. Congreve A 'rule of three' for fragment-based lead discovery? Drug Discov. Today 8 2003 876 877
-
(2003)
Drug Discov. Today
, vol.8
, pp. 876-877
-
-
Congreve, M.1
-
35
-
-
33845364148
-
Fragment-based drug design: How big is too big?
-
P.J. Hajduk Fragment-based drug design: how big is too big? J. Med. Chem. 49 2006 6972 6976
-
(2006)
J. Med. Chem.
, vol.49
, pp. 6972-6976
-
-
Hajduk, P.J.1
-
36
-
-
61649111348
-
Ligand efficiency and fragment-based drug discovery
-
S.D. Bembenek Ligand efficiency and fragment-based drug discovery Drug Discov. Today 14 2009 278 283
-
(2009)
Drug Discov. Today
, vol.14
, pp. 278-283
-
-
Bembenek, S.D.1
-
37
-
-
49849094738
-
Physiochemical drug properties associated with in vivo toxicological outcomes
-
J.D. Hughes Physiochemical drug properties associated with in vivo toxicological outcomes Bioorg. Med. Chem. Lett. 18 2008 4872 4875
-
(2008)
Bioorg. Med. Chem. Lett.
, vol.18
, pp. 4872-4875
-
-
Hughes, J.D.1
-
38
-
-
60549088370
-
Fragment-based discovery of the pyrazol-4-yl urea (AT9283), a multitargeted kinase inhibitor with potent aurora kinase activity
-
S. Howard Fragment-based discovery of the pyrazol-4-yl urea (AT9283), a multitargeted kinase inhibitor with potent aurora kinase activity J. Med. Chem. 52 2009 379 388
-
(2009)
J. Med. Chem.
, vol.52
, pp. 379-388
-
-
Howard, S.1
-
39
-
-
20844437061
-
A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design
-
G.L. Card A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat. Biotechnol. 23 2005 201 207
-
(2005)
Nat. Biotechnol.
, vol.23
, pp. 201-207
-
-
Card, G.L.1
-
40
-
-
20444451242
-
The discovery of novel protein kinase inhibitors by using fragment-based high-throughput X-ray crystallography
-
A. Gill The discovery of novel protein kinase inhibitors by using fragment-based high-throughput X-ray crystallography Chembiochem 6 2005 506 512
-
(2005)
Chembiochem
, vol.6
, pp. 506-512
-
-
Gill, A.1
-
41
-
-
19944434344
-
Identification of novel p38α MAP kinase inhibitors using fragment-based lead generation
-
A.L. Gill Identification of novel p38α MAP kinase inhibitors using fragment-based lead generation J. Med. Chem. 48 2005 414 426
-
(2005)
J. Med. Chem.
, vol.48
, pp. 414-426
-
-
Gill, A.L.1
|