Molecular Modelling and Bioinformatics Laboratory

The chief goal of our research laboratory is to gain a greater understanding of bimolecular (receptors, enzymes and target molecules) interactions with anticancer and antimalerial drugs using various computational methods and programmes. Currently, we are studying the interactions of anticancer and antimalerial drugs using structure base, ligand base and De-novo ligand design using LUDI. We are also focusing on molecular dynamics, sequence analysis and Homology Modelling.

Research Project (Ongoing)

1) Development of bioinformatics database resource for radiomodifiers and make it online available to user community. Sponsor:Department of Atomic Energy (BRNS), BARC, Govt of India, Mumbai.

Research Project (Completed)

1) In silico molecular docking & virtual pharmacokinetic study of psoraldin & its derivatives phosphatidylinositol-3-kinase inhibitors. 2) Structure based drug design of antimalarial agents.