-
1
-
-
0041342061
-
Identification of "latent hits" in compound screening collections
-
J. Mestres, G.H. Veeneman Identification of "latent hits" in compound screening collections J. Med. Chem. 46 2003 3441 3444
-
(2003)
J. Med. Chem.
, vol.46
, pp. 3441-3444
-
-
Mestres, J.1
Veeneman, G.H.2
-
2
-
-
12844283957
-
High-throughput drug discovery: What can we expect from HTS?
-
P. Gribbon, S. Andreas High-throughput drug discovery: what can we expect from HTS? Drug Discov. Today 10 2005 17 22
-
(2005)
Drug Discov. Today
, vol.10
, pp. 17-22
-
-
Gribbon, P.1
Andreas, S.2
-
3
-
-
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
-
4
-
-
0035438391
-
Is there a difference between leads and drugs? a historical perspective
-
T.I. Oprea Is there a difference between leads and drugs? A historical perspective J. Chem. Inf. Comput. Sci. 41 2001 1308 1315
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 1308-1315
-
-
Oprea, T.I.1
-
5
-
-
0033576601
-
The Design of Leadlike Combinatorial Libraries
-
S.J. Teague The Design of Leadlike Combinatorial Libraries Angew. Chem. Int. Ed. Engl. 38 1999 3743 3748
-
(1999)
Angew. Chem. Int. Ed. Engl.
, vol.38
, pp. 3743-3748
-
-
Teague, S.J.1
-
6
-
-
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
-
7
-
-
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
-
8
-
-
11144320699
-
Navigating chemical space for biology and medicine
-
C. Lipinski, A. Hopkins Navigating chemical space for biology and medicine Nature 432 2004 855 861
-
(2004)
Nature
, vol.432
, pp. 855-861
-
-
Lipinski, C.1
Hopkins, A.2
-
9
-
-
0141923641
-
Identification and prediction of promiscuous aggregating inhibitors among known drugs
-
J. Seidler Identification and prediction of promiscuous aggregating inhibitors among known drugs J. Med. Chem. 46 2003 4477 4486
-
(2003)
J. Med. Chem.
, vol.46
, pp. 4477-4486
-
-
Seidler, J.1
-
10
-
-
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
-
11
-
-
0033621044
-
The maximal affinity of ligands
-
I.D. Kuntz The maximal affinity of ligands Proc. Natl. Acad. Sci. U.S.A. 96 1999 9997 10002
-
(1999)
Proc. Natl. Acad. Sci. U.S.A.
, vol.96
, pp. 9997-10002
-
-
Kuntz, I.D.1
-
12
-
-
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
-
13
-
-
0035289779
-
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 Deliv. Rev. 46 2001 3 26
-
(2001)
Adv. Drug Deliv. Rev.
, vol.46
, pp. 3-26
-
-
Lipinski, C.A.1
-
14
-
-
10044246303
-
Design and characterization of libraries of molecular fragments for use in NMR screening against protein targets
-
N. Baurin Design and characterization of libraries of molecular fragments for use in NMR screening against protein targets J. Chem. Inf. Comput. Sci. 44 2004 2157 2166
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 2157-2166
-
-
Baurin, N.1
-
15
-
-
0033213957
-
The SHAPES strategy: An NMR-based approach for lead generation in drug discovery
-
J. Fejzo The SHAPES strategy: an NMR-based approach for lead generation in drug discovery Chem. Biol. 6 1999 755 769
-
(1999)
Chem. Biol.
, vol.6
, pp. 755-769
-
-
Fejzo, J.1
-
16
-
-
12344318177
-
Fragment-based lead discovery using X-ray crystallography
-
M.J. Hartshorn Fragment-based lead discovery using X-ray crystallography J. Med. Chem. 48 2005 403 413
-
(2005)
J. Med. Chem.
, vol.48
, pp. 403-413
-
-
Hartshorn, M.J.1
-
17
-
-
1642288258
-
Novel inhibitors of DNA gyrase: 3D structure based biased needle screening, hit validation by biophysical methods, and 3D guided optimization. a promizing alternative to random screening
-
H.J. Boehm Novel inhibitors of DNA gyrase: 3D structure based biased needle screening, hit validation by biophysical methods, and 3D guided optimization. A promizing alternative to random screening J. Med. Chem. 43 2000 2664 2674
-
(2000)
J. Med. Chem.
, vol.43
, pp. 2664-2674
-
-
Boehm, H.J.1
-
18
-
-
19944434344
-
Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation
-
A.L. Gill Identification of novel p38alpha 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
-
19
-
-
0037075838
-
PRO_SELECT: Combining structure-based drug design and array-based chemistry for rapid lead discovery. 2. the development of a series of highly potent and selective factor Xa inhibitors
-
J.W. Liebeschuetz PRO_SELECT: combining structure-based drug design and array-based chemistry for rapid lead discovery. 2. The development of a series of highly potent and selective factor Xa inhibitors J. Med. Chem. 45 2002 1221 1232
-
(2002)
J. Med. Chem.
, vol.45
, pp. 1221-1232
-
-
Liebeschuetz, J.W.1
-
20
-
-
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
-
21
-
-
0029836953
-
Discovering high-affinity ligands for proteins: SAR by NMR
-
S.B. Shuker Discovering high-affinity ligands for proteins: SAR by NMR Science 274 1996 1531 1534
-
(1996)
Science
, vol.274
, pp. 1531-1534
-
-
Shuker, S.B.1
-
22
-
-
0037337035
-
In situ assembly of enzyme inhibitors using extended tethering
-
D.A. Erlanson In situ assembly of enzyme inhibitors using extended tethering Nat. Biotechnol. 21 2003 308 314
-
(2003)
Nat. Biotechnol.
, vol.21
, pp. 308-314
-
-
Erlanson, D.A.1
-
23
-
-
0037472768
-
Ketones as building blocks for dynamic combinatorial libraries: Highly active neuraminidase inhibitors generated via selection pressure of the biological target
-
M. Hochgurtel Ketones as building blocks for dynamic combinatorial libraries: highly active neuraminidase inhibitors generated via selection pressure of the biological target J. Med. Chem. 46 2003 356 358
-
(2003)
J. Med. Chem.
, vol.46
, pp. 356-358
-
-
Hochgurtel, M.1
-
24
-
-
0037133560
-
Target-induced formation of neuraminidase inhibitors from in vitro virtual combinatorial libraries
-
M. Hochgurtel Target-induced formation of neuraminidase inhibitors from in vitro virtual combinatorial libraries Proc. Natl. Acad. Sci. U.S.A. 99 2002 3382 3387
-
(2002)
Proc. Natl. Acad. Sci. U.S.A.
, vol.99
, pp. 3382-3387
-
-
Hochgurtel, M.1
-
25
-
-
0141670350
-
Detection of ligands from a dynamic combinatorial library by X-ray crystallography
-
M.S. Congreve Detection of ligands from a dynamic combinatorial library by X-ray crystallography Angew. Chem. Int. Ed. Engl. 42 2003 4479 4482
-
(2003)
Angew. Chem. Int. Ed. Engl.
, vol.42
, pp. 4479-4482
-
-
Congreve, M.S.1
-
26
-
-
16944365890
-
Discovery of potent nonpeptide inhibitors of stromelysin using SAR by NMR
-
P.J. Hajduk Discovery of potent nonpeptide inhibitors of stromelysin using SAR by NMR J. Am. Chem. Soc. 119 1997 5818 5827
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 5818-5827
-
-
Hajduk, P.J.1
-
27
-
-
0242417581
-
Discovery of a potent, selective protein tyrosine phosphatase 1B inhibitor using a linked-fragment strategy
-
B.G. Szczepankiewicz Discovery of a potent, selective protein tyrosine phosphatase 1B inhibitor using a linked-fragment strategy J. Am. Chem. Soc. 125 2003 4087 4096
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 4087-4096
-
-
Szczepankiewicz, B.G.1
-
28
-
-
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
-
29
-
-
1542268206
-
Selective optimization of side activities: Another way for drug discovery
-
C.G. Wermuth Selective optimization of side activities: another way for drug discovery J. Med. Chem. 47 2004 1303 1314
-
(2004)
J. Med. Chem.
, vol.47
, pp. 1303-1314
-
-
Wermuth, C.G.1
-
30
-
-
17144373303
-
Druggability indices for protein targets derived from NMR-based screening data
-
P.J. Hajduk Druggability indices for protein targets derived from NMR-based screening data J. Med. Chem. 48 2005 2518 2525
-
(2005)
J. Med. Chem.
, vol.48
, pp. 2518-2525
-
-
Hajduk, P.J.1
-
31
-
-
0034646370
-
Combinatorial target-guided ligand assembly: Identification of potent subtype-selective c-Src inhibitors
-
D.J. Maly Combinatorial target-guided ligand assembly: identification of potent subtype-selective c-Src inhibitors Proc. Natl. Acad. Sci. U.S.A. 97 2000 2419 2424
-
(2000)
Proc. Natl. Acad. Sci. U.S.A.
, vol.97
, pp. 2419-2424
-
-
Maly, D.J.1
-
32
-
-
7444257903
-
Custom chemical microarray production and affinity fingerprinting for the S1 pocket of factor VIIa
-
S. Dickopf Custom chemical microarray production and affinity fingerprinting for the S1 pocket of factor VIIa Anal. Biochem. 335 2004 50 57
-
(2004)
Anal. Biochem.
, vol.335
, pp. 50-57
-
-
Dickopf, S.1
-
33
-
-
0037194620
-
SAR by MS: A ligand based technique for drug lead discovery against structured RNA targets
-
E.E. Swayze SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets J. Med. Chem. 45 2002 3816 3819
-
(2002)
J. Med. Chem.
, vol.45
, pp. 3816-3819
-
-
Swayze, E.E.1
-
34
-
-
0347931976
-
Structure-activity relationships by mass spectrometry: Identification of novel MMP-3 inhibitors
-
D.A. Ockey Structure-activity relationships by mass spectrometry: identification of novel MMP-3 inhibitors Bioorg. Med. Chem. 12 2004 37 44
-
(2004)
Bioorg. Med. Chem.
, vol.12
, pp. 37-44
-
-
Ockey, D.A.1
-
36
-
-
0037030693
-
NMR-Based screening with competition water-ligand observed via gradient spectroscopy experiments: Detection of high-affinity ligands
-
C. Dalvit NMR-Based screening with competition water-ligand observed via gradient spectroscopy experiments: detection of high-affinity ligands J. Med. Chem. 45 2002 2610 2614
-
(2002)
J. Med. Chem.
, vol.45
, pp. 2610-2614
-
-
Dalvit, C.1
-
37
-
-
0034822661
-
Spin label enhanced NMR screening
-
W. Jahnke Spin label enhanced NMR screening J. Am. Chem. Soc. 123 2001 3149 3150
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 3149-3150
-
-
Jahnke, W.1
-
38
-
-
0034055620
-
Automation of NMR measurements and data evaluation for systematically screening interactions of small molecules with target proteins
-
A. Ross Automation of NMR measurements and data evaluation for systematically screening interactions of small molecules with target proteins J. Biomol. NMR 16 2000 139 146
-
(2000)
J. Biomol. NMR
, vol.16
, pp. 139-146
-
-
Ross, A.1
-
39
-
-
0033773899
-
Discovering novel ligands for macromolecules using X-ray crystallographic screening
-
V.L. Nienaber Discovering novel ligands for macromolecules using X-ray crystallographic screening Nat. Biotechnol. 18 2000 1105 1108
-
(2000)
Nat. Biotechnol.
, vol.18
, pp. 1105-1108
-
-
Nienaber, V.L.1
|