Drug repositioning by structure-based virtual screening
Chemical Society Reviews2013Vol. 42(5), pp. 2130–2130
Citations Over TimeTop 1% of 2013 papers
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.
Related Papers
- → Hierarchical virtual screening approaches in small molecule drug discovery(2014)154 cited
- → CHAPTER 1. In Silico Approaches for Drug Repurposing for SARS-CoV-2 Infection(2022)6 cited
- → Combining 2D and 3D in silico methods for rapid selection of potential PDE5 inhibitors from multimillion compounds’ repositories: biological evaluation(2011)14 cited
- → Drug repositioning candidates identified using in-silico quasi-quantum molecular simulation demonstrate reduced COVID-19 mortality in 1.5M patient records(2021)1 cited
- → THE SCREENING IN SILICO OF POTENTIAL 11-HYDROXYSTEROIDDEHYDROGENASE 1 INHIBITORS(2016)