Basic Science-oriented Research Projects

Transport and force generation by a team of molecular motor proteins: Transport and force generation by motor proteins such as kinesin, dynein and myosin is important for cell growth and cell division. Impairment of transport and force generation by motor proteins is linked to various neurological diseases and cancer. We develop experimentally constrained computational (Monte-Carlo) models to understand transport and force generation by a team of motor proteins.

Interaction of potential anti-cancer drugs and MAPs with microtubules: These studies enable us to identify molecular reasons behind the development of drug resistance in cancerous cells, the interaction of microtubule-associated proteins (MAPs) with microtubules under normal and diseased conditions. We use a combination of computational approaches consisting of homology modeling, molecular docking, and molecular dynamics (MD) simulations. We also apply machine learning algorithms to these problems to get better understanding of biomolecular interactions.

Effect of pathogenic variation on proteins involved in Endocrine diseases: We have started to work very closely with clinicians at Department of Endocrinology at Seth G.S Medical College & KEM Hospital, Mumbai to understand the interaction of various proteins involved in endocrine diseases with hormones and drugs under normal and diseased conditions. We again use a combination of computational approaches consisting of homology modeling, molecular docking, and molecular dynamics simulations to understand the molecular reasons behind the disease.

Pathogen inactivation by Far-UVC: We have been studying efficacy of Far-UVC radiation for pathogen inactivation as far-UVC radiation is considered safer than conventional UVC radiation. We have recently established that far-UVC radiation inactivation both single and double stranded DNA and RNA viruses with better efficacy.