Portal de Periódicos da CAPES

Drug repositioning by structure-based virtual screening

2013; Royal Society of Chemistry; Volume: 42; Issue: 5 Linguagem: Inglês

10.1039/c2cs35357a

1460-4744

Dik‐Lung Ma, Daniel Shiu‐Hin Chan, Chung‐Hang Leung,

Click Chemistry and Applications

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.