Integrating molecular modelling methods to advance influenza A virus drug discovery

Abstract

Since the discovery of the anti-influenza drugs Oseltamivir and Zanamivir using computer aided drug design methods, there have been significant applications of molecular modelling methodologies applied to influenza A virus drug discovery, such as molecular dynamics simulation, molecular docking and virtual screening. This review provides a brief general introduction to molecular modelling in the context of drug discovery and then focuses on the advances and impact of integrating these methods with specific reference to potential influenza A antiviral drug targets.