Reputed Interactive Virtual Module Based Training

Research on the development of new drugs generally starts with target selection followed by hit identification, hit-to-lead confirmation, lead optimization and clinical candidate selection. As an alternative or complementary approach to high-throughput screening (HTS) assays with high cost and low hit rate, virtual screening is an efficient computational method to identify drug candidates in silico from large chemical compound databases. Its usefulness has been verified by current applications that successfully retrieved hit and lead identifications against various disease targets. Types of Virtual Screening in Our BOC SciencesVirtual screening can be divided into two broad categories, namely structure-based virtual screening (SBVS) and ligand-based virtual screening (LBVS). SBVS utilizes the three-dimensional (3D) structure of the biological target (determined either experimentally through X-ray crystallography or NMR or computationally through homology modeling) to dock the candidate molecules and rank them based on their predicted binding affinity or complementarity to the binding site.