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Issue 5, 2013
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Drug repositioning by structure-based virtual screening

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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.

Graphical abstract: Drug repositioning by structure-based virtual screening

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The article was received on 29 Aug 2012 and first published on 04 Jan 2013

Article type: Review Article
DOI: 10.1039/C2CS35357A
Citation: Chem. Soc. Rev., 2013,42, 2130-2141
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    Drug repositioning by structure-based virtual screening

    D. Ma, D. S. Chan and C. Leung, Chem. Soc. Rev., 2013, 42, 2130
    DOI: 10.1039/C2CS35357A

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