Research Fellows Directory
Dr Rupesh Chikhale
University of Manchester
My present research deals with the development of chemically diverse and biologically active molecules, which can be further developed in to new chemical entity. Major focus of work is based on receptor-ligand theory, the target receptors are mostly the proteins functioning as enzymes, several other types of targets include the functional channels, trans-membrane proteins and G-protein coupled receptors. The ligand or molecules are rationally designed and synthesised on the basis of high throughput virtual screening (HTVS), molecular docking and molecular dynamics protocols, these are further characterized for their structural elucidation and purity. Multistep synthesis and appropriate catalytic methods are involved and special emphasis is given on the use of green catalyst so as to reduce the cost of synthesis and possible pollution. These molecules are further evaluated by suitable in vitro, ex vivo and in vivo assays for their biological activity. Advances are made on the basis of results obtained; promising compounds are studied for their pharmacokinetic and pharmacodynamics studies. The Computer Aided Drug Discovery (CADD) process forms the backbone of these studies. CADD has developed into Structure Based Drug Design (SBDD), Quantitative Structure Activity Relationship (QSAR) and pharmacogenomics. SBDD has yielded with several new compounds with better anticancer, anticonvulsant (antiepileptic), antihypertensive and anti-mycobacterial (anti-TB) agents in our laboratory.
Interests and expertise (Subject groups)