Virtual screening strategies in drug discovery

C McInnes - Current opinion in chemical biology, 2007 - Elsevier
… of lead molecules in drug discovery. Refinements and … screening methods, concomitant
developments in cheminformatics including identification, design and manipulation of drug

Virtual screening strategies in drug discovery: a critical review

A Lavecchia, C Di Giovanni - Current medicinal chemistry, 2013 - ingentaconnect.com
screening (HTS) technologies offered great promise for accelerating the drug discovery
process by enabling huge libraries of compounds to be synthesized and screened in short …

Strategies for absorption screening in drug discovery and development

H Bohets, P Annaert, G Mannens… - Current topics in …, 2001 - ingentaconnect.com
… Since drug absorption potential has become a more important … drug development early
in the drug discovery process, there is a need for reliable screening methods to assess drug

Exploratory toxicology as an integrated part of drug discovery. Part II: Screening strategies

JJ Hornberg, M Laursen, N Brenden, M Persson… - Drug discovery today, 2014 - Elsevier
… also a direction to the drug discovery teams (what will not … discovery toxicology screening
strategy which focuses on: (i) serious adverse drug reactions that most frequently impact drug

Computational drug discovery

S Ou-Yang, J Lu, X Kong, Z Liang, C Luo… - Acta Pharmacologica …, 2012 - nature.com
… Using a docking-based virtual screening strategy in conjunction with chemical synthesis …
By applying a docking-based virtual screening strategy that targets the binding pocket of CypA, …

Virtual screening techniques in drug discovery: review and recent applications

SFL da Silva Rocha, CG Olanda… - Current topics in …, 2019 - ingentaconnect.com
… Abstract: The discovery of bioactive molecules is an … new strategies are continuously
searched for in order to optimize this process. Virtual Screening (VS) is one of the recent strategies

Applications of combinatorial technologies to drug discovery. 2. Combinatorial organic synthesis, library screening strategies, and future directions

EM Gordon, RW Barrett, WJ Dower… - Journal of medicinal …, 1994 - ACS Publications
… situations and apply strategies in whichstereochemical/ regiochemical … drug-discovery
screening and drug-developmentoptimization. When complete, the combinatorial drug-discovery

Postgenomic strategies in antibacterial drug discovery

H Brötz-Oesterhelt, P Sass - Future microbiology, 2010 - Taylor & Francis
… , screening libraries and screening strategies. The ‘genomics‘ approach was replaced by a
diverse array of discovery strategies, … new microbial sources, screening for synthetic inhibitors …

Docking and scoring in virtual screening for drug discovery: methods and applications

DB Kitchen, H Decornez, JR Furr… - … reviews Drug discovery, 2004 - nature.com
… Indeed, there are now a number of drugs whose development was heavily influenced by or
based on structure-based design and screening strategies, such as HIV protease inhibitors. …

Enhancing drug discovery through in silico screening: strategies to increase true positives retrieval rates

J Kirchmair, S Distinto, D Schuster… - Current medicinal …, 2008 - ingentaconnect.com
… Long after the advent of acetylsalicylic acid and penicillin, as the golden age of drug discovery
started … Experimental high-throughput screening (HTS) and combinatorial chemistry were …