Medicinal Chemistry and Drug Design

Drug Design research

Design of a novel drug is one of the biggest challenges faced by the pharmaceutical industry. The use of computers accelerate the process of drug design which is a time intensive process, and also reduces the cost of whole process. Computational methods are used in various forms of drug discovery like QSAR, virtual screening and structure-based drug designing methods. Among these, structure based drug design is gaining importance due to rapid growth in structural data (available in RCSB & Nucleic acid Data Bank). This structural data can be used in molecular modeling to design lead molecules based on the structural features of the active site.