http://dx.doi.org/10.1039/c2cs35357a">
 

Document Type

Journal Article

Department/Unit

Department of Chemistry

Title

Drug repositioning by structure-based virtual screening

Language

English

Abstract

Approved drugs have favourable or validated pharmacokinetic properties and toxicological profiles, and the repositioning of existing drugs for new indications can potentially avoid expensive costs associated with early-stage testing of the hit compounds. In recent years, technological advances in virtual screening methodologies have allowed medicinal chemists to rapidly screen drug libraries for therapeutic activity against new biomolecular targets in a cost-effective manner. This review article outlines the basic principles and recent advances in structure-based virtual screening and highlights the powerful synergy of in silico techniques in drug repositioning as demonstrated in several recent reports. © The Royal Society of Chemistry.

Publication Date

2013

Source Publication Title

Chemical Society Reviews

Volume

42

Issue

5

Start Page

2130

End Page

2141

Publisher

Royal Society of Chemistry

ISSN (print)

03060012

ISSN (electronic)

14604744

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