期刊
CHEMICAL SOCIETY REVIEWS
卷 42, 期 5, 页码 2130-2141出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2cs35357a
关键词
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资金
- Hong Kong Baptist University [FRG2/11-12/009]
- Centre for Cancer and Inflammation Research, School of Chinese Medicine (CCIR-SCM, HKBU)
- Health and Medical Research Fund [HMRF/11101212]
- Research Grants Council [HKBU/201811, HKBU/204612]
- Science and Technology Development Fund, Macao SAR [001/2012/A]
- University of Macau [SRG013-ICMS12-LCH, MYRG091(Y1-L2)-ICMS12-LCH, MYRG121(Y1-L2)-ICMS12-LCH]
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.
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