Literature DB >> 12565011

Nonleadlikeness and leadlikeness in biochemical screening.

Gilbert M Rishton1.   

Abstract

Biochemical assays have largely supplanted functional biological assays as drug screening tools in the early stages of drug discovery. The de-selection of compounds that are 'nonleadlike' binders (and bonders) and the proactive selection of those compounds that are 'leadlike' in their binding to the target are vital components of the screening effort. The physiochemical properties of leadlikeness and the surprising differences between those properties and the now classical definitions of druglikeness are becoming apparent.

Mesh:

Year:  2003        PMID: 12565011     DOI: 10.1016/s1359644602025722

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN: 1359-6446            Impact factor:   7.851


  82 in total

1.  Solubility at the molecular level: development of a critical aggregation concentration (CAC) assay for estimating compound monomer solubility.

Authors:  Jie Wang; Edmund Matayoshi
Journal:  Pharm Res       Date:  2012-03-16       Impact factor: 4.200

2.  Post-HTS case report and structural alert: Promiscuous 4-aroyl-1,5-disubstituted-3-hydroxy-2H-pyrrol-2-one actives verified by ALARM NMR.

Authors:  Jayme L Dahlin; J Willem M Nissink; Subhashree Francis; Jessica M Strasser; Kristen John; Zhiguo Zhang; Michael A Walters
Journal:  Bioorg Med Chem Lett       Date:  2015-08-10       Impact factor: 2.823

3.  ProPose: a docking engine based on a fully configurable protein-ligand interaction model.

Authors:  Markus H J Seifert; Frank Schmitt; Thomas Herz; Bernd Kramer
Journal:  J Mol Model       Date:  2004-10-08       Impact factor: 1.810

Review 4.  Screening in a spirit haunted world.

Authors:  Brian K Shoichet
Journal:  Drug Discov Today       Date:  2006-07       Impact factor: 7.851

5.  Synergy and antagonism of promiscuous inhibition in multiple-compound mixtures.

Authors:  Brian Y Feng; Brian K Shoichet
Journal:  J Med Chem       Date:  2006-04-06       Impact factor: 7.446

6.  Leadlikeness and structural diversity of synthetic screening libraries.

Authors:  Herman J Verheij
Journal:  Mol Divers       Date:  2006-09-21       Impact factor: 2.943

7.  Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.

Authors:  Kerim Babaoglu; Anton Simeonov; John J Irwin; Michael E Nelson; Brian Feng; Craig J Thomas; Laura Cancian; M Paola Costi; David A Maltby; Ajit Jadhav; James Inglese; Christopher P Austin; Brian K Shoichet
Journal:  J Med Chem       Date:  2008-03-12       Impact factor: 7.446

Review 8.  Docking Screens for Novel Ligands Conferring New Biology.

Authors:  John J Irwin; Brian K Shoichet
Journal:  J Med Chem       Date:  2016-03-15       Impact factor: 7.446

9.  Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease.

Authors:  Ajit Jadhav; Rafaela S Ferreira; Carleen Klumpp; Bryan T Mott; Christopher P Austin; James Inglese; Craig J Thomas; David J Maloney; Brian K Shoichet; Anton Simeonov
Journal:  J Med Chem       Date:  2010-01-14       Impact factor: 7.446

10.  Inhibitors of human tyrosyl-DNA phospodiesterase (hTdp1) developed by virtual screening using ligand-based pharmacophores.

Authors:  Iwona E Weidlich; Thomas Dexheimer; Christophe Marchand; Smitha Antony; Yves Pommier; Marc C Nicklaus
Journal:  Bioorg Med Chem       Date:  2009-11-11       Impact factor: 3.641

View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.