227 related articles for article (PubMed ID: 18333608)
1. Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
Babaoglu K; Simeonov A; Irwin JJ; Nelson ME; Feng B; Thomas CJ; Cancian L; Costi MP; Maltby DA; Jadhav A; Inglese J; Austin CP; Shoichet BK
J Med Chem; 2008 Apr; 51(8):2502-11. PubMed ID: 18333608
[TBL] [Abstract][Full Text] [Related]
2. Molecular docking and ligand specificity in fragment-based inhibitor discovery.
Chen Y; Shoichet BK
Nat Chem Biol; 2009 May; 5(5):358-64. PubMed ID: 19305397
[TBL] [Abstract][Full Text] [Related]
3. Docking for fragment inhibitors of AmpC beta-lactamase.
Teotico DG; Babaoglu K; Rocklin GJ; Ferreira RS; Giannetti AM; Shoichet BK
Proc Natl Acad Sci U S A; 2009 May; 106(18):7455-60. PubMed ID: 19416920
[TBL] [Abstract][Full Text] [Related]
4. Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B.
Doman TN; McGovern SL; Witherbee BJ; Kasten TP; Kurumbail R; Stallings WC; Connolly DT; Shoichet BK
J Med Chem; 2002 May; 45(11):2213-21. PubMed ID: 12014959
[TBL] [Abstract][Full Text] [Related]
5. Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors.
Ferreira RS; Simeonov A; Jadhav A; Eidam O; Mott BT; Keiser MJ; McKerrow JH; Maloney DJ; Irwin JJ; Shoichet BK
J Med Chem; 2010 Jul; 53(13):4891-905. PubMed ID: 20540517
[TBL] [Abstract][Full Text] [Related]
6. Increasing chemical space coverage by combining empirical and computational fragment screens.
Barelier S; Eidam O; Fish I; Hollander J; Figaroa F; Nachane R; Irwin JJ; Shoichet BK; Siegal G
ACS Chem Biol; 2014 Jul; 9(7):1528-35. PubMed ID: 24807704
[TBL] [Abstract][Full Text] [Related]
7. Identification and prediction of promiscuous aggregating inhibitors among known drugs.
Seidler J; McGovern SL; Doman TN; Shoichet BK
J Med Chem; 2003 Oct; 46(21):4477-86. PubMed ID: 14521410
[TBL] [Abstract][Full Text] [Related]
8. Virtual screening to enrich hit lists from high-throughput screening: a case study on small-molecule inhibitors of angiogenin.
Jenkins JL; Kao RY; Shapiro R
Proteins; 2003 Jan; 50(1):81-93. PubMed ID: 12471601
[TBL] [Abstract][Full Text] [Related]
9. Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Hassaan E; Eriksson PO; Geschwindner S; Heine A; Klebe G
ChemMedChem; 2020 Feb; 15(3):324-337. PubMed ID: 31808981
[TBL] [Abstract][Full Text] [Related]
10. A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening.
McGovern SL; Caselli E; Grigorieff N; Shoichet BK
J Med Chem; 2002 Apr; 45(8):1712-22. PubMed ID: 11931626
[TBL] [Abstract][Full Text] [Related]
11. Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta-lactamase.
Powers RA; Morandi F; Shoichet BK
Structure; 2002 Jul; 10(7):1013-23. PubMed ID: 12121656
[TBL] [Abstract][Full Text] [Related]
12. The synthesis and SAR of rhodanines as novel class C beta-lactamase inhibitors.
Grant EB; Guiadeen D; Baum EZ; Foleno BD; Jin H; Montenegro DA; Nelson EA; Bush K; Hlasta DJ
Bioorg Med Chem Lett; 2000 Oct; 10(19):2179-82. PubMed ID: 11012024
[TBL] [Abstract][Full Text] [Related]
13. Structure-based optimization of a non-beta-lactam lead results in inhibitors that do not up-regulate beta-lactamase expression in cell culture.
Tondi D; Morandi F; Bonnet R; Costi MP; Shoichet BK
J Am Chem Soc; 2005 Apr; 127(13):4632-9. PubMed ID: 15796528
[TBL] [Abstract][Full Text] [Related]
14. High-throughput assays for promiscuous inhibitors.
Feng BY; Shelat A; Doman TN; Guy RK; Shoichet BK
Nat Chem Biol; 2005 Aug; 1(3):146-8. PubMed ID: 16408018
[TBL] [Abstract][Full Text] [Related]
15. Structure-based design and in-parallel synthesis of inhibitors of AmpC beta-lactamase.
Tondi D; Powers RA; Caselli E; Negri MC; Blázquez J; Costi MP; Shoichet BK
Chem Biol; 2001 Jun; 8(6):593-611. PubMed ID: 11410378
[TBL] [Abstract][Full Text] [Related]
16. Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease.
Jadhav A; Ferreira RS; Klumpp C; Mott BT; Austin CP; Inglese J; Thomas CJ; Maloney DJ; Shoichet BK; Simeonov A
J Med Chem; 2010 Jan; 53(1):37-51. PubMed ID: 19908840
[TBL] [Abstract][Full Text] [Related]
17. An Aggregation Advisor for Ligand Discovery.
Irwin JJ; Duan D; Torosyan H; Doak AK; Ziebart KT; Sterling T; Tumanian G; Shoichet BK
J Med Chem; 2015 Sep; 58(17):7076-87. PubMed ID: 26295373
[TBL] [Abstract][Full Text] [Related]
18. Structure-based optimization of cephalothin-analogue boronic acids as beta-lactamase inhibitors.
Morandi S; Morandi F; Caselli E; Shoichet BK; Prati F
Bioorg Med Chem; 2008 Feb; 16(3):1195-205. PubMed ID: 17997318
[TBL] [Abstract][Full Text] [Related]
19. Comparative virtual and experimental high-throughput screening for glycogen synthase kinase-3beta inhibitors.
Polgár T; Baki A; Szendrei GI; Keseru GM
J Med Chem; 2005 Dec; 48(25):7946-59. PubMed ID: 16335919
[TBL] [Abstract][Full Text] [Related]
20. PAINS in the assay: chemical mechanisms of assay interference and promiscuous enzymatic inhibition observed during a sulfhydryl-scavenging HTS.
Dahlin JL; Nissink JW; Strasser JM; Francis S; Higgins L; Zhou H; Zhang Z; Walters MA
J Med Chem; 2015 Mar; 58(5):2091-113. PubMed ID: 25634295
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]