Literature DB >> 18220986

Essential factors for successful virtual screening.

Markus H J Seifert1, Martin Lang.   

Abstract

Virtual high-throughput screening (vHTS) is a powerful technique for identifying hit molecules as starting points for medicinal chemistry. Numerous successful applications of vHTS have been published using a large variety of methodologies. This review attempts to identify the essential factors for successful virtual screening in the hit identification phase.

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Year:  2008        PMID： 18220986     DOI： 10.2174/138955708783331540

Source DB:  PubMed          Journal:  Mini Rev Med Chem        ISSN： 1389-5575            Impact factor:   3.862


  11 in total

Review 1.  Virtual screening: an endless staircase?

Authors:  Gisbert Schneider
Journal:  Nat Rev Drug Discov       Date:  2010-04       Impact factor: 84.694

2.  Robust optimization of scoring functions for a target class.

Authors:  Markus H J Seifert
Journal:  J Comput Aided Mol Des       Date:  2009-05-27       Impact factor: 3.686

3.  Consensus model for identification of novel PI3K inhibitors in large chemical library.

Authors:  Chin Yee Liew; Xiao Hua Ma; Chun Wei Yap
Journal:  J Comput Aided Mol Des       Date:  2010-02-11       Impact factor: 3.686

4.  Inhibitors of Helicobacter pylori protease HtrA found by 'virtual ligand' screening combat bacterial invasion of epithelia.

Authors:  Martin Löwer; Tim Geppert; Petra Schneider; Benjamin Hoy; Silja Wessler; Gisbert Schneider
Journal:  PLoS One       Date:  2011-03-31       Impact factor: 3.240

Review 5.  Structure-based virtual screening for drug discovery: a problem-centric review.

Authors:  Tiejun Cheng; Qingliang Li; Zhigang Zhou; Yanli Wang; Stephen H Bryant
Journal:  AAPS J       Date:  2012-01-27       Impact factor: 4.009

6.  Structure- and ligand-based virtual screening identifies new scaffolds for inhibitors of the oncoprotein MDM2.

Authors:  Douglas R Houston; Li-Hsuan Yen; Simon Pettit; Malcolm D Walkinshaw
Journal:  PLoS One       Date:  2015-04-17       Impact factor: 3.240

Review 7.  Current progress in Structure-Based Rational Drug Design marks a new mindset in drug discovery.

Authors:  Valère Lounnas; Tina Ritschel; Jan Kelder; Ross McGuire; Robert P Bywater; Nicolas Foloppe
Journal:  Comput Struct Biotechnol J       Date:  2013-04-02       Impact factor: 7.271

8.  DG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screening.

Authors:  David Lagorce; Tania Pencheva; Bruno O Villoutreix; Maria A Miteva
Journal:  BMC Chem Biol       Date:  2009-11-13

9.  AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening.

Authors:  Tania Pencheva; David Lagorce; Ilza Pajeva; Bruno O Villoutreix; Maria A Miteva
Journal:  BMC Bioinformatics       Date:  2008-10-16       Impact factor: 3.169

10.  Identification and Characterization of Noncovalent Interactions That Drive Binding and Specificity in DD-Peptidases and β-Lactamases.

Authors:  Jacqueline C Hargis; Sai Lakshmana Vankayala; Justin K White; H Lee Woodcock
Journal:  J Chem Theory Comput       Date:  2014-01-10       Impact factor: 6.006
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