Computer-Aided Drug Design has developed into a powerful suite of methods that complement experimental approaches to the identification of new pharmacologically active compounds. In particular, virtual screening has become a standard tool for lead identification. Diverse examples of the application of virtual screening applied to T2DM target proteins have been reported. While several of these indicate successful identification of new lead compounds from synthetic chemical and natural product databases, many of them have been performed on a small scale and with limited validation. Careful study design and collaboration with cheminformaticians and computational chemists will enable these approaches to fulfil their potential for T2DM.
Keywords: Chemical database; Cheminformatics; Molecular modeling; Virtual screening.