Structure based Drug Design and Discovery Lab

 The structure-based drug design and Discovery group under the Center for Medical and Bio-Allied Health Sciences Research umbrella aims to understand the structure-function relationships and investigate drug-protein interactions of various clinically relevant proteins. Structure-based drug design has become a valuable and essential part of drug discovery and possibly the most relevant approach to discovering bioactive leads exhibiting high specificity and effectiveness. We use various Bioinformatics methods, namely molecular docking, molecular dynamics simulations, and molecular modelling approaches to investigate the structure of proteins and their complexes with drugs and other molecules. These approaches unveil a comprehensive understanding of the drug-protein interactions for disease therapeutics, namely Cancer and Alzheimer’s disease. Our group aims to discover new drugs for the treatment of Alzheimer's and related neurodegenerative diseases and Cancer. Our group also focuses on various drug protein interactions that can play a key role in treatment of Neurodegenerative diseases.