-
1
-
-
23844500772
-
High-throughput assays for promiscuous inhibitors
-
Feng, B. Y.; Shelat, A.; Doman, T. N.; Guy, R. K.; Shoichet, B. K. High-throughput assays for promiscuous inhibitors. Nat. Chem. Biol. 2005, 1, 146-148.
-
(2005)
Nat. Chem. Biol
, vol.1
, pp. 146-148
-
-
Feng, B.Y.1
Shelat, A.2
Doman, T.N.3
Guy, R.K.4
Shoichet, B.K.5
-
2
-
-
0037061628
-
A common mechanism underlying promiscuous inhibitors from virtual and highthroughput screening
-
McGovern, S. L.; Caselli, E.; Grigorieff, N.; Shoichet, B. K. A common mechanism underlying promiscuous inhibitors from virtual and highthroughput screening. J. Med. Chem. 2002, 45, 1712-22.
-
(2002)
J. Med. Chem
, vol.45
, pp. 1712-1722
-
-
McGovern, S.L.1
Caselli, E.2
Grigorieff, N.3
Shoichet, B.K.4
-
3
-
-
0034306450
-
Specificity and mechanism of action of some commonly used protein kinase inhibitors
-
Davies, S.; Reddy, H.; Caviano, M.; Cohen, P. Specificity and mechanism of action of some commonly used protein kinase inhibitors. Biochem. J. 2000, 351, 95-105.
-
(2000)
Biochem. J
, vol.351
, pp. 95-105
-
-
Davies, S.1
Reddy, H.2
Caviano, M.3
Cohen, P.4
-
4
-
-
15444366107
-
Concentration and pH dependent aggregation of hydrophobic drug molecules and relevance to oral bioavailability
-
Frenkel, Y. V.; Clark, A. D. J.; Das, K.; Wang, Y.-H.; Lewi, P. J.; Janssen, P. A. J.; Arnold, E. Concentration and pH dependent aggregation of hydrophobic drug molecules and relevance to oral bioavailability. J. Med. Chem. 2005, 48, 1974-1983.
-
(2005)
J. Med. Chem
, vol.48
, pp. 1974-1983
-
-
Frenkel, Y.V.1
Clark, A.D.J.2
Das, K.3
Wang, Y.-H.4
Lewi, P.J.5
Janssen, P.A.J.6
Arnold, E.7
-
5
-
-
0034640214
-
Inhibition of voltage-dependent sodium channels by Ro 31-8220, a "specific" protein kinase inhibitor
-
Lingameneni, R.; Vysotskaya, T.; Duch, D.; Hemmings, H. Inhibition of voltage-dependent sodium channels by Ro 31-8220, a "specific" protein kinase inhibitor. FEBS Lett. 2000, 473, 265-268.
-
(2000)
FEBS Lett
, vol.473
, pp. 265-268
-
-
Lingameneni, R.1
Vysotskaya, T.2
Duch, D.3
Hemmings, H.4
-
6
-
-
3042814718
-
Detailed kinetic studies of an aggregating inhibitor. Inhibition of phosphomannomutase/ phosphoglucomutase by Disperse Blue 56
-
Liu, H.; Wang, Z.; Regni, C.; Zou, X.; Tipton, P. A. Detailed kinetic studies of an aggregating inhibitor. Inhibition of phosphomannomutase/ phosphoglucomutase by Disperse Blue 56. Biochemistry 2004, 27, 8662-8669.
-
(2004)
Biochemistry
, vol.27
, pp. 8662-8669
-
-
Liu, H.1
Wang, Z.2
Regni, C.3
Zou, X.4
Tipton, P.A.5
-
7
-
-
0037431421
-
Kinase inhibitors: Not just for kinases anymore
-
McGovern, S. L.; Shoichet, B. K. Kinase inhibitors: not just for kinases anymore. J. Med. Chem. 2003, 46, 1478-1483.
-
(2003)
J. Med. Chem
, vol.46
, pp. 1478-1483
-
-
McGovern, S.L.1
Shoichet, B.K.2
-
8
-
-
33746889438
-
Inhibition of kinesin motor proteins by adociasulfate-2
-
Reddie, K.; Roberts, D.; Dore, T. Inhibition of kinesin motor proteins by adociasulfate-2. J. Med. Chem. 2006, 49, 4857-4860.
-
(2006)
J. Med. Chem
, vol.49
, pp. 4857-4860
-
-
Reddie, K.1
Roberts, D.2
Dore, T.3
-
9
-
-
0141923641
-
Identification and prediction of promiscuous aggregating inhibitors among known drugs
-
Seidler, J.; McGovern, S. L.; Doman, T.; Shoichet, B. K. Identification and prediction of promiscuous aggregating inhibitors among known drugs. J. Med. Chem. 2003, 46, 4477-4486.
-
(2003)
J. Med. Chem
, vol.46
, pp. 4477-4486
-
-
Seidler, J.1
McGovern, S.L.2
Doman, T.3
Shoichet, B.K.4
-
10
-
-
33748308883
-
Targeting proteases: Successes, failures and future prospects
-
Turk, B. Targeting proteases: successes, failures and future prospects. Nat. Rev. Drug DiscoVery 2006, 5, 785-799.
-
(2006)
Nat. Rev. Drug DiscoVery
, vol.5
, pp. 785-799
-
-
Turk, B.1
-
11
-
-
39349094523
-
Small-molecule aggregates inhibit amyloid polymerization
-
Feng, B. Y.; Shoichet, B. K. Small-molecule aggregates inhibit amyloid polymerization. Nat. Chem. Biol. 2008, 4, 197-199.
-
(2008)
Nat. Chem. Biol
, vol.4
, pp. 197-199
-
-
Feng, B.Y.1
Shoichet, B.K.2
-
12
-
-
33747761215
-
Avoiding physiochemical artifacts in early ADMETox experiments
-
DeWitte, R. S. Avoiding physiochemical artifacts in early ADMETox experiments. Drug DiscoVery Today 2006, 11, 855-859.
-
(2006)
Drug DiscoVery Today
, vol.11
, pp. 855-859
-
-
DeWitte, R.S.1
-
13
-
-
2942564021
-
Pursuing the leadlikeness concept in pharmaceutical research
-
Hann, M. M.; Oprea, T. I. Pursuing the leadlikeness concept in pharmaceutical research. Curr. Opin. Chem. Biol. 2004, 8, 255-263.
-
(2004)
Curr. Opin. Chem. Biol
, vol.8
, pp. 255-263
-
-
Hann, M.M.1
Oprea, T.I.2
-
14
-
-
33745809902
-
Hit discovery and hit-to-lead approaches
-
Keseru, G.; Makara, G. Hit discovery and hit-to-lead approaches. Drug DiscoVery Today 2006, 11, 741-748.
-
(2006)
Drug DiscoVery Today
, vol.11
, pp. 741-748
-
-
Keseru, G.1
Makara, G.2
-
15
-
-
0031024171
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
Lipinski, C. A.; Lombardo, F.; Dominy, B. W.; Feeney, P. J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Delivery Rev. 1997, 23, 3-25.
-
(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
-
16
-
-
0037439447
-
Nonleadlikeness and leadlikeness in biochemical screening
-
Rishton, G. M. Nonleadlikeness and leadlikeness in biochemical screening. Drug DiscoVery Today 2003, 8, 86-96.
-
(2003)
Drug DiscoVery Today
, vol.8
, pp. 86-96
-
-
Rishton, G.M.1
-
17
-
-
0037011890
-
Development of a virtual screening method for identification of "frequent hitters" in compound libraries
-
Roche, O.; Schneider, P.; Zuegge, J.; Guba, W.; Kansy, M.; Alanine, A.; Bleicher, K.; Danel, F.; Gutknecht, E. M.; Rogers-Evans, M.; Neidhart, W.; Stalder, H.; Dillon, M.; Sjogren, E.; Fotouhi, N.; Gillespie, P.; Goodnow, R.; Harris, W.; Jones, P.; Taniguchi, M.; Tsujii, S.; Vvon Der Saal, W.; Zimmermann, G.; Schneider, G. Development of a virtual screening method for identification of "frequent hitters" in compound libraries. J. Med. Chem. 2002, 45, 137- 142.
-
(2002)
J. Med. Chem
, vol.45
, pp. 137-142
-
-
Roche, O.1
Schneider, P.2
Zuegge, J.3
Guba, W.4
Kansy, M.5
Alanine, A.6
Bleicher, K.7
Danel, F.8
Gutknecht, E.M.9
Rogers-Evans, M.10
Neidhart, W.11
Stalder, H.12
Dillon, M.13
Sjogren, E.14
Fotouhi, N.15
Gillespie, P.16
Goodnow, R.17
Harris, W.18
Jones, P.19
Taniguchi, M.20
Tsujii, S.21
Vvon Der Saal, W.22
Zimmermann, G.23
Schneider, G.24
more..
-
18
-
-
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.; Kopple, K. D. Molecular properties that influence the oral bioavailability of drug candidates. J. Med. Chem. 2002, 45, 2615- 2623.
-
(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
-
20
-
-
39149130730
-
Surface plasmon resonance based assay for the detection and characterization of promiscuous inhibitors
-
Giannetti, A. M.; Koch, B. D.; Browner, M. F. Surface plasmon resonance based assay for the detection and characterization of promiscuous inhibitors. J. Med. Chem. 2008, 51, 574-580.
-
(2008)
J. Med. Chem
, vol.51
, pp. 574-580
-
-
Giannetti, A.M.1
Koch, B.D.2
Browner, M.F.3
-
21
-
-
34249000046
-
A high-throughput screen for aggregation-based inhibition in a large compound library
-
Feng, B.; Simeonov, A.; Jadhav, A.; Babaoglu, K.; Inglese, J.; Shoichet, B.; Austin, C. A high-throughput screen for aggregation-based inhibition in a large compound library. J. Med. Chem. 2007, 50, 2385- 2390.
-
(2007)
J. Med. Chem
, vol.50
, pp. 2385-2390
-
-
Feng, B.1
Simeonov, A.2
Jadhav, A.3
Babaoglu, K.4
Inglese, J.5
Shoichet, B.6
Austin, C.7
-
22
-
-
0141792701
-
A specific mechanism of nonspecific inhibition
-
McGovern, S. L.; Helfand, B. T.; Feng, B. Y.; Shoichet, B. K. A specific mechanism of nonspecific inhibition. J. Med. Chem. 2003, 46, 4265-4272.
-
(2003)
J. Med. Chem
, vol.46
, pp. 4265-4272
-
-
McGovern, S.L.1
Helfand, B.T.2
Feng, B.Y.3
Shoichet, B.K.4
-
23
-
-
0041842684
-
Effect of detergent on "promiscuous" inhibitors
-
Ryan, A. J.; Gray, N. M.; Lowe, P. N.; Chung, C. W. Effect of detergent on "promiscuous" inhibitors. J. Med. Chem. 2003, 3448, 3451.
-
(2003)
J. Med. Chem
, vol.3448
, pp. 3451
-
-
Ryan, A.J.1
Gray, N.M.2
Lowe, P.N.3
Chung, C.W.4
-
24
-
-
0031018084
-
Probing the non-covalent structure of proteins by amide hydrogen exchange and mass spectrometry
-
Smith, D.; Deng, Y.; Zhang, Z. Probing the non-covalent structure of proteins by amide hydrogen exchange and mass spectrometry. J. Mass Spectrom. 1997, 32, 135-146.
-
(1997)
J. Mass Spectrom
, vol.32
, pp. 135-146
-
-
Smith, D.1
Deng, Y.2
Zhang, Z.3
-
25
-
-
0027529263
-
Determination of amide hydrogen exchange by mass spectrometry: A new tool for protein structure elucidation
-
Zhang, Z.; Smith, D. L. Determination of amide hydrogen exchange by mass spectrometry: a new tool for protein structure elucidation. Protein Sci. 1993, 2, 522-531.
-
(1993)
Protein Sci
, vol.2
, pp. 522-531
-
-
Zhang, Z.1
Smith, D.L.2
-
26
-
-
0029911695
-
Mechanisms and uses of hydrogen exchange
-
Englander, S. W.; Sosnick, T. R.; Englander, J. J.; Mayne, L. Mechanisms and uses of hydrogen exchange. Curr. Opin. Chem. Biol. 1996, 6, 18-23.
-
(1996)
Curr. Opin. Chem. Biol
, vol.6
, pp. 18-23
-
-
Englander, S.W.1
Sosnick, T.R.2
Englander, J.J.3
Mayne, L.4
-
27
-
-
0032428378
-
Identification of protein-protein interfaces by decreased amide proton solvent accessibility
-
Mandell, J. M.; Falick, A. M.; Komives, E. A. Identification of protein-protein interfaces by decreased amide proton solvent accessibility. Proc. Natl. Acad. Sci. U.S.A. 1998, 95, 14705-14710.
-
(1998)
Proc. Natl. Acad. Sci. U.S.A
, vol.95
, pp. 14705-14710
-
-
Mandell, J.M.1
Falick, A.M.2
Komives, E.A.3
-
28
-
-
0035969987
-
Changes in protein conformational mobility upon activation of extracellular regulated protein kinase-2 as detected by hydrogen exchange
-
Hoofnagle, A. N.; Resing, K. A.; Goldsmith, E. J.; Ahn, N. G. Changes in protein conformational mobility upon activation of extracellular regulated protein kinase-2 as detected by hydrogen exchange. Proc. Natl. Acad. Sci. U.S.A. 2001, 98, 956-961.
-
(2001)
Proc. Natl. Acad. Sci. U.S.A
, vol.98
, pp. 956-961
-
-
Hoofnagle, A.N.1
Resing, K.A.2
Goldsmith, E.J.3
Ahn, N.G.4
-
29
-
-
1842868694
-
Mass spectrometric approaches using electrospray ionization charge states and hydrogendeuterium exchange for determining protein structures and their conformational changes
-
Yan, X.; Watson, J.; Ho, P. S.; Deinzer, M. L. Mass spectrometric approaches using electrospray ionization charge states and hydrogendeuterium exchange for determining protein structures and their conformational changes. Mol. Cell. Proteomics 2004, 3, 10-23.
-
(2004)
Mol. Cell. Proteomics
, vol.3
, pp. 10-23
-
-
Yan, X.1
Watson, J.2
Ho, P.S.3
Deinzer, M.L.4
-
30
-
-
33644761306
-
Hydrogen exchange mass spectrometry for the analysis of protein dynamics
-
Wales, T. E.; Engen, J. R. Hydrogen exchange mass spectrometry for the analysis of protein dynamics. Mass Spectrom. Rev. 2006, 25, 158- 170.
-
(2006)
Mass Spectrom. Rev
, vol.25
, pp. 158-170
-
-
Wales, T.E.1
Engen, J.R.2
-
31
-
-
64549095084
-
-
Burlingame, A. L.; Boyd, R. K.; Gaskell, S. J. Mass Spectrometry. Anal. Chem. 1996, 68, 634R-683R.
-
Burlingame, A. L.; Boyd, R. K.; Gaskell, S. J. Mass Spectrometry. Anal. Chem. 1996, 68, 634R-683R.
-
-
-
-
32
-
-
0032186122
-
Measurement of amide hydrogen exchange by MALDI-TOF mass spectrometry
-
Mandell, J. M.; Falick, A. M.; Komives, E. A. Measurement of amide hydrogen exchange by MALDI-TOF mass spectrometry. Anal. Chem. 1998, 70, 3987-3995.
-
(1998)
Anal. Chem
, vol.70
, pp. 3987-3995
-
-
Mandell, J.M.1
Falick, A.M.2
Komives, E.A.3
-
33
-
-
33847094111
-
Stability and equilibria of promiscuous aggregates in high protein milieus
-
Coan, K. E. D.; Shoichet, B. K. Stability and equilibria of promiscuous aggregates in high protein milieus. Mol. BioSyst. 2007, 3, 208-213.
-
(2007)
Mol. BioSyst
, vol.3
, pp. 208-213
-
-
Coan, K.E.D.1
Shoichet, B.K.2
-
34
-
-
33845491449
-
Interpreting steep dose-response curves in early inhibitor discovery
-
Shoichet, B. K. Interpreting steep dose-response curves in early inhibitor discovery. J. Med. Chem. 2006, 49, 7274-7277.
-
(2006)
J. Med. Chem
, vol.49
, pp. 7274-7277
-
-
Shoichet, B.K.1
-
35
-
-
47749106894
-
Stoichiometry and physical chemistry of promiscuous aggregate-based inhibitors
-
Coan, K. E. D.; Shoichet, B. K. Stoichiometry and physical chemistry of promiscuous aggregate-based inhibitors. J. Am. Chem. Soc. 2008, 130, 9606-9612.
-
(2008)
J. Am. Chem. Soc
, vol.130
, pp. 9606-9612
-
-
Coan, K.E.D.1
Shoichet, B.K.2
-
36
-
-
24044492592
-
Effect of pH on thermaland chemical-induced denaturation of GFP
-
Alkaabi, K. M.; Yafea, A.; Ashraf, S. S. Effect of pH on thermaland chemical-induced denaturation of GFP. Appl. Biochem. Biotechnol. 2005, 126, 149-156.
-
(2005)
Appl. Biochem. Biotechnol
, vol.126
, pp. 149-156
-
-
Alkaabi, K.M.1
Yafea, A.2
Ashraf, S.S.3
-
37
-
-
0032487847
-
Structurebased enhancement of boronic acid-based inhibitors of AmpC betalactamase
-
Weston, G. S.; Blazquez, J.; Baquero, F.; Shoichet, B. K. Structurebased enhancement of boronic acid-based inhibitors of AmpC betalactamase. J. Med. Chem. 1998, 41, 4577-4586.
-
(1998)
J. Med. Chem
, vol.41
, pp. 4577-4586
-
-
Weston, G.S.1
Blazquez, J.2
Baquero, F.3
Shoichet, B.K.4
-
38
-
-
0001528720
-
Exact and efficient analytical calculation of the accessible surface areas and their gradients for macromolecules
-
Fraczkiewicz, R.; Braun, W. Exact and efficient analytical calculation of the accessible surface areas and their gradients for macromolecules. J. Comput. Chem. 1998, 19, 319-333.
-
(1998)
J. Comput. Chem
, vol.19
, pp. 319-333
-
-
Fraczkiewicz, R.1
Braun, W.2
-
39
-
-
0035822659
-
Structures of ceftazidine and its transition-state analogue in complex with AmpC beta-lactamase: Implications for resistance mutations and inhibitor design
-
Powers, R. A.; Caselli, E.; Focia, P. J.; Prati, F.; Shoichet, B. K. Structures of ceftazidine and its transition-state analogue in complex with AmpC beta-lactamase: implications for resistance mutations and inhibitor design. Biochemistry 2001, 40, 9207-9214.
-
(2001)
Biochemistry
, vol.40
, pp. 9207-9214
-
-
Powers, R.A.1
Caselli, E.2
Focia, P.J.3
Prati, F.4
Shoichet, B.K.5
|