-
1
-
-
0024239320
-
Methods for drug discovery: Development of potent, selective, orally effective cholecystin antagonists
-
Evans BE, Rittle KE, Bock MG, et al. Methods for drug discovery: development of potent, selective, orally effective cholecystin antagonists. J Med Chem 1988;31:2235-46
-
(1988)
J Med Chem
, vol.31
, pp. 2235-2246
-
-
Evans, B.E.1
Rittle, K.E.2
Bock, M.G.3
-
2
-
-
84905495729
-
The discovery of first-in-class drugs: Origins and evolution
-
Jörg E, Sedrani R, Wiesmann C. The discovery of first-in-class drugs: origins and evolution. Nat Rev Drug Discov 2014;13:577-87
-
(2014)
Nat Rev Drug Discov
, vol.13
, pp. 577-587
-
-
Jörg, E.1
Sedrani, R.2
Wiesmann, C.3
-
3
-
-
77950571108
-
New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays
-
Baell JB, Holloway GA. New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays. J Med Chem 2010;53:2719-40
-
(2010)
J Med Chem
, vol.53
, pp. 2719-2740
-
-
Baell, J.B.1
Holloway, G.A.2
-
4
-
-
77952627289
-
Drug-target networks
-
Vogt I, Mestres J. Drug-target networks. Mol Inf 2010;29:10-14
-
(2010)
Mol Inf
, vol.29
, pp. 10-14
-
-
Vogt, I.1
Mestres, J.2
-
6
-
-
54249155522
-
Network pharmacology: The next paradigm in drug discovery
-
Hopkins AL. Network pharmacology: the next paradigm in drug discovery. Nat Chem Biol 2008;4:682-90
-
(2008)
Nat Chem Biol
, vol.4
, pp. 682-690
-
-
Hopkins, A.L.1
-
8
-
-
68949119585
-
The topology of drugtarget interaction networks: Implicit dependence on drug properties and target families
-
Mestres J, Gregori-Puigjane E, Valverde S, et al. The topology of drugtarget interaction networks: implicit dependence on drug properties and target families. Mol BioSyst 2009;5:1051-7
-
(2009)
Mol BioSyst
, vol.5
, pp. 1051-1057
-
-
Mestres, J.1
Gregori-Puigjane, E.2
Valverde, S.3
-
10
-
-
34548295338
-
Origin and evolution of high throughput screening
-
Pereira DA, Williams JA. Origin and evolution of high throughput screening. Brit J Pharmacol 2007;152:53-61
-
(2007)
Brit J Pharmacol
, vol.152
, pp. 53-61
-
-
Pereira, D.A.1
Williams, J.A.2
-
11
-
-
33847381100
-
A decade of fragment-based drug design: Strategic advances and lessons learned
-
Hajduk PJ, Greer J. A decade of fragment-based drug design: strategic advances and lessons learned. Nat Rev Drug Discov 2007;6:211-19
-
(2007)
Nat Rev Drug Discov
, vol.6
, pp. 211-219
-
-
Hajduk, P.J.1
Greer, J.2
-
12
-
-
77957761048
-
Compound collection enhancement and paradigms for highthroughput screening- an update
-
Djuric SW, Akritopoulou-Zanze I, Cox PB, et al. Compound collection enhancement and paradigms for highthroughput screening- an update. Ann Rep Med Chem 2010;45:409-28
-
(2010)
Ann Rep Med Chem
, vol.45
, pp. 409-428
-
-
Djuric, S.W.1
Akritopoulou-Zanze, I.2
Cox, P.B.3
-
13
-
-
70450198030
-
Strategies for the design of pGPCR-targeted libraries
-
Rognan D, editor. Ligand design for G protein-coupled receptors. Wiley-VCH
-
Savchuk NP, Tkachenko SE, Balakin KV. Strategies for the design of pGPCR-targeted libraries. Strategies for the Design of pGPCR-targeted Libraries. In: Rognan D, editor. Ligand design for G protein-coupled receptors. Wiley-VCH; 2006. p. 137-63
-
(2006)
Strategies for the Design of PGPCR-targeted Libraries
, pp. 137-163
-
-
Savchuk, N.P.1
Tkachenko, S.E.2
Balakin, K.V.3
-
14
-
-
61649114657
-
Kinase targeted libraries: The design and synthesis of novel, potent, and selective kinase inhibitors
-
Akritopoulou-Zanze I, Hajduk P. Kinase targeted libraries: The design and synthesis of novel, potent, and selective kinase inhibitors. Drug Discov Today 2009;14:291-7
-
(2009)
Drug Discov Today
, vol.14
, pp. 291-297
-
-
Akritopoulou-Zanze, I.1
Hajduk, P.2
-
15
-
-
0032087776
-
Discovery of protease inhibitors using targeted libraries
-
Whittaker M. Discovery of protease inhibitors using targeted libraries. Curr Opin Chem Biol 1998;2:386-96
-
(1998)
Curr Opin Chem Biol
, vol.2
, pp. 386-396
-
-
Whittaker, M.1
-
18
-
-
84893104837
-
Recent syntheses of 1,2,3,4-tetrahydroquinolines, 2,3-dihydro-4(1H)-quinolones and 4 (1H)-quinolinones using domino reactions
-
Nammalwar B, Bunce RA. Recent syntheses of 1,2,3,4-tetrahydroquinolines, 2,3-dihydro-4(1H)-quinolones and 4 (1H)-quinolinones using domino reactions. Molecules 2014;19:204-32
-
(2014)
Molecules
, vol.19
, pp. 204-232
-
-
Nammalwar, B.1
Bunce, R.A.2
-
19
-
-
0034788453
-
Tyrosine Kinase inhibitors: From rational design to clinical trials
-
Traxler P, et al. Tyrosine Kinase inhibitors: from rational design to clinical trials. Med Res Rev 2001;21:499-512
-
(2001)
Med Res Rev
, vol.21
, pp. 499-512
-
-
Traxler, P.1
-
20
-
-
0033026444
-
Strategies toward the design of novel and selective protein tyrosine kinase inhibitors
-
Traxler P, Furet P. Strategies toward the design of novel and selective protein tyrosine kinase inhibitors. Pharmacol Ther 1999;82:195-206
-
(1999)
Pharmacol Ther
, vol.82
, pp. 195-206
-
-
Traxler, P.1
Furet, P.2
-
21
-
-
0037665145
-
Rocovitine and other purines as kinase inhibitors: From starfish oocytes to clinical trials
-
Meijer L. Rocovitine and other purines as kinase inhibitors: from starfish oocytes to clinical trials. Acc Chem Res 2003;36:417-25
-
(2003)
Acc Chem Res
, vol.36
, pp. 417-425
-
-
Meijer, L.1
-
22
-
-
0028093182
-
Inhibition of cyclin-dependent kinases by purine analogs
-
Vesely J, Havliceh L, Strnad M, et al. Inhibition of cyclin-dependent kinases by purine analogs. Eur J Biochem 1994;224:771-86
-
(1994)
Eur J Biochem
, vol.224
, pp. 771-786
-
-
Vesely, J.1
Havliceh, L.2
Strnad, M.3
-
23
-
-
45149115327
-
Focused libraries: The evolution in strategy from large-diversity libraries to the focused library approach
-
RSC; Cambridge, UK
-
Tommasi R, Cornella I. Focused libraries: the evolution in strategy from large-diversity libraries to the focused library approach. Exploiting Chemical Diversity for Drug Discovery. RSC; Cambridge, UK: 2006
-
(2006)
Exploiting Chemical Diversity for Drug Discovery
-
-
Tommasi, R.1
Cornella, I.2
-
24
-
-
21044444449
-
Pocketome via comprehensive identification and classification of ligand binding envelopes
-
An JT, Abagyan R. Pocketome via comprehensive identification and classification of ligand binding envelopes. Mol Cell Proteomics 2005;4:752-61
-
(2005)
Mol Cell Proteomics
, vol.4
, pp. 752-761
-
-
An, J.T.1
Abagyan, R.2
-
25
-
-
0032479179
-
Anatomy of hot spots in protein interfaces
-
Bogan AA, Thorn KS. Anatomy of hot spots in protein interfaces. J Mol Biol 1998;280:1-9
-
(1998)
J Mol Biol
, vol.280
, pp. 1-9
-
-
Bogan, A.A.1
Thorn, K.S.2
-
26
-
-
0028916599
-
A hot spot of binding energy in a hormone-receptor interface
-
Clackson T, Wells JA. A hot spot of binding energy in a hormone-receptor interface. Science 1995;267:383-6
-
(1995)
Science
, vol.267
, pp. 383-386
-
-
Clackson, T.1
Wells, J.A.2
-
27
-
-
0034213559
-
Conservation of polar residues as hot spots at protein interfaces
-
Hu Z, Ma B, Wolfson H, Nussinov R. Conservation of polar residues as hot spots at protein interfaces. Proteins 2000;39:331-42
-
(2000)
Proteins
, vol.39
, pp. 331-342
-
-
Hu, Z.1
Ma, B.2
Wolfson, H.3
Nussinov, R.4
-
28
-
-
0037609791
-
Protein-protein interactions: Structurally conserved residues distinguish between binding sites and exposed protein surfaces
-
Ma B, Elkayam T, Wolfson H, Nussinov R. Protein-protein interactions: Structurally conserved residues distinguish between binding sites and exposed protein surfaces. Proc Natl Acad Sci USA 2003;100:5772-7
-
(2003)
Proc Natl Acad Sci USA
, vol.100
, pp. 5772-5777
-
-
Ma, B.1
Elkayam, T.2
Wolfson, H.3
Nussinov, R.4
-
29
-
-
80051966197
-
Structural conservation of druggable hot spots in protein-protein interfaces
-
Kozakov D, Hall DR, Gwo-Yu C, et al. Structural conservation of druggable hot spots in protein-protein interfaces. Proc Natl Acad Sci 2011;108:13528-33
-
(2011)
Proc Natl Acad Sci
, vol.108
, pp. 13528-13533
-
-
Kozakov, D.1
Hall, D.R.2
Gwo-Yu, C.3
-
30
-
-
65349187039
-
Energetic determinants of protein binding specificity: Insights into protein interaction networks
-
Carbonell P, Nussinov R, del Sol A. Energetic determinants of protein binding specificity: Insights into protein interaction networks. Proteomics 2009;9:1744-53
-
(2009)
Proteomics
, vol.9
, pp. 1744-1753
-
-
Carbonell, P.1
Nussinov, R.2
Del Sol, A.3
-
31
-
-
84899964275
-
Hot spot-based design of small-molecule inhibitors for protein-protein interactions
-
Wenxing G, Wisniewski JA, Ji H. Hot spot-based design of small-molecule inhibitors for protein-protein interactions. Bioorg Med Chem Lett 2014;24:2546-54
-
(2014)
Bioorg Med Chem Lett
, vol.24
, pp. 2546-2554
-
-
Wenxing, G.1
Wisniewski, J.A.2
Ji, H.3
-
33
-
-
77953492371
-
Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
-
Popowicz GM, Czarna A, Wolf S, et al. Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery. Cell Cycle 2010;9:1104-11
-
(2010)
Cell Cycle
, vol.9
, pp. 1104-1111
-
-
Popowicz, G.M.1
Czarna, A.2
Wolf, S.3
-
34
-
-
4644271084
-
Magic shotguns versus magic bullets: Selectively non-selective drugs for mood disorders and schizophrenia
-
Roth BL, Sheffler DJ, Kroeze WK. Magic shotguns versus magic bullets: selectively non-selective drugs for mood disorders and schizophrenia. Nat Rev Drug Discov 2004;3:353-9
-
(2004)
Nat Rev Drug Discov
, vol.3
, pp. 353-359
-
-
Roth, B.L.1
Sheffler, D.J.2
Kroeze, W.K.3
-
35
-
-
33846574259
-
Fragments, network biology and designing multiple ligands
-
Morphy R, Rankovic Z. Fragments, network biology and designing multiple ligands. Drug Discov Today 2007;12:156-60
-
(2007)
Drug Discov Today
, vol.12
, pp. 156-160
-
-
Morphy, R.1
Rankovic, Z.2
-
37
-
-
0036527429
-
Protein kinases-The major drug targets of the twenty-first century?
-
Cohen P. Protein kinases-the major drug targets of the twenty-first century? Nat Rev Drug Discov 2002;1:309-15
-
(2002)
Nat Rev Drug Discov
, vol.1
, pp. 309-315
-
-
Cohen, P.1
-
38
-
-
84863651163
-
Combinatorial drug therapy for cancer in the post-genomic era
-
Al-Lazikani B, Banerji U, Workman P. Combinatorial drug therapy for cancer in the post-genomic era. Nat Biotechnol 2012;30:679-92
-
(2012)
Nat Biotechnol
, vol.30
, pp. 679-692
-
-
Al-Lazikani, B.1
Banerji, U.2
Workman, P.3
-
39
-
-
27144443099
-
Drug discovery: Playing dirty
-
Frantz S. Drug discovery: playing dirty. Nature 2005;437:942-3
-
(2005)
Nature
, vol.437
, pp. 942-943
-
-
Frantz, S.1
-
41
-
-
84913550591
-
B-Lactam estrogen receptor antagonists and a dual-targeting estrogen receptor/tubulin ligand
-
O'Boyle NM, Pollock JK, Carr M, et al. b-Lactam estrogen receptor antagonists and a dual-targeting estrogen receptor/tubulin ligand. J Med Chem 2014;57:9370-82
-
(2014)
J Med Chem
, vol.57
, pp. 9370-9382
-
-
O'Boyle, N.M.1
Pollock, J.K.2
Carr, M.3
-
42
-
-
77953631133
-
Strategies for discovering and derisking covalent, irreversible enzyme inhibitors
-
Johnson DS, Weerapana E, Cravatt BF. Strategies for discovering and derisking covalent, irreversible enzyme inhibitors. Fut Med Chem 2010;2:949-64
-
(2010)
Fut Med Chem
, vol.2
, pp. 949-964
-
-
Johnson, D.S.1
Weerapana, E.2
Cravatt, B.F.3
-
43
-
-
84876016325
-
Electrophilic fragmentbased design of reversible covalent kinase inhibitors
-
Miller Rand M, Paavilainen VO, Krishnan S, et al. Electrophilic fragmentbased design of reversible covalent kinase inhibitors. J Am Chem Soc 2013;135:5298-301
-
(2013)
J Am Chem Soc
, vol.135
, pp. 5298-5301
-
-
Miller Rand, M.1
Paavilainen, V.O.2
Krishnan, S.3
-
44
-
-
84874301754
-
Developing irreversible inhibitors of the protein kinase cysteinome
-
Liu Q, Sabnis Y, Zhao Z, et al. Developing irreversible inhibitors of the protein kinase cysteinome. Chem Biol 2013;20:146-59
-
(2013)
Chem Biol
, vol.20
, pp. 146-159
-
-
Liu, Q.1
Sabnis, Y.2
Zhao, Z.3
-
45
-
-
64349093749
-
Covalent modifiers: An orthogonal approach to drug design
-
Potashman MH, Duggan ME. Covalent modifiers: an orthogonal approach to drug design. J Med Chem 2009;52:1231-46
-
(2009)
J Med Chem
, vol.52
, pp. 1231-1246
-
-
Potashman, M.H.1
Duggan, M.E.2
-
48
-
-
84878003443
-
Metallocarboxypeptidases and their inhibitors: Recent developments in biomedically relevant protein and organic ligands
-
Fernandez D, Pallares I, Covaleda G, et al. Metallocarboxypeptidases and their inhibitors: recent developments in biomedically relevant protein and organic ligands. Curr Med Chem 2013;20:1595-608
-
(2013)
Curr Med Chem
, vol.20
, pp. 1595-1608
-
-
Fernandez, D.1
Pallares, I.2
Covaleda, G.3
-
49
-
-
84927177593
-
Is there new hope for therapeutic matrix metalloproteinase inhibition?
-
Vandenbroucke RE, Libert C. Is there new hope for therapeutic matrix metalloproteinase inhibition? Nat Rev Drug Discov 2014;13:904-27
-
(2014)
Nat Rev Drug Discov
, vol.13
, pp. 904-927
-
-
Vandenbroucke, R.E.1
Libert, C.2
-
50
-
-
33746001269
-
Antibacterial natural products in medicinal chemistry-exodus or revival?
-
von Nussbaum F, Brands M, Hinzen B, et al. Antibacterial natural products in medicinal chemistry-exodus or revival? Angew Chem Intl Ed 2006;45:5072-129
-
(2006)
Angew Chem Intl Ed
, vol.45
, pp. 5072-5129
-
-
Von Nussbaum, F.1
Brands, M.2
Hinzen, B.3
-
52
-
-
85192415411
-
Strategies for designing specific protein tyrosine phosphatase inhibitors and their intracellular activation
-
Wiley VCH;
-
Hoeger B, Köhn M. Strategies for designing specific protein tyrosine phosphatase inhibitors and their intracellular activation. Concepts and case studies in chemical biology. Wiley VCH; 2014
-
(2014)
Concepts and Case Studies in Chemical Biology
-
-
Hoeger, B.1
Köhn, M.2
-
53
-
-
82355175854
-
Hydroxypyridinones as "privileged" chelating structures for the design of medicinal drugs
-
Santos MA, Marques SM, Chaves S. Hydroxypyridinones as "privileged" chelating structures for the design of medicinal drugs. Coordin Chem Rev 2012;256:240-59
-
(2012)
Coordin Chem Rev
, vol.256
, pp. 240-259
-
-
Santos, M.A.1
Marques, S.M.2
Chaves, S.3
-
54
-
-
84860511321
-
Privileged structures-dream or reality: Preferential organization of azanaphthalene scaffold
-
Polanski J, Kurczyk A, Bak A, Musiol R. Privileged structures-dream or reality: preferential organization of azanaphthalene scaffold. Curr Med Chem 2012;19:1921-45
-
(2012)
Curr Med Chem
, vol.19
, pp. 1921-1945
-
-
Polanski, J.1
Kurczyk, A.2
Bak, A.3
Musiol, R.4
-
55
-
-
84900400053
-
High-resolution view of compound promiscuity
-
Hu Y, Bajorath J. High-resolution view of compound promiscuity. F1000Res 2013;2:144-53
-
(2013)
F1000Res
, vol.2
, pp. 144-153
-
-
Hu, Y.1
Bajorath, J.2
-
56
-
-
84863216438
-
Abbott physicochemical tiering (APT)-A unified approach to HTS triage
-
Cox PB, Gregg RJ, Vasudevan A. Abbott physicochemical tiering (APT)-a unified approach to HTS triage. Bioorg Med Chem 2012;20:4564-73
-
(2012)
Bioorg Med Chem
, vol.20
, pp. 4564-4573
-
-
Cox, P.B.1
Gregg, R.J.2
Vasudevan, A.3
-
57
-
-
35748934487
-
The influence of drug-like concepts on decision-making in medicinal chemistry
-
Leeson PD, Springthorpe B. The influence of drug-like concepts on decision-making in medicinal chemistry. Nat Rev Drug Discov 2007;6:881-90
-
(2007)
Nat Rev Drug Discov
, vol.6
, pp. 881-890
-
-
Leeson, P.D.1
Springthorpe, B.2
|