L. RAHEMAN, V.A. JADHAV, L.H. KAMBLE#
”Swami Ramanand Teerth Marathwada” University, School of Life Sciences, Nanded, 431606 (MS), India#e-mail: lhkamble@gmail.com
There is an urgent need for new and better drugs to treat tuberculosis. As there is complex treatment regimens and a rising problem of drug resistance. New targets and drug candidates are being explored by researchers across the globe. This will fulfil the urgent need of new drugs for tuberculosis.Using computational method, old targets are also being explored. Recent study shows, cyclopropane synthase (CmaA1) in Mycobacterium tuberculosis is potential drug target. In this in silico study, we have used online drug discovery web server named DrugRep for target based Virtual Screening and docking against experimental drug library (5935 drugs) from the DrugBank database. Further, molecule with least minimum docking energy were considered for simulation study.
Key words: Docking, simulation, Mycobacterium tuberculosis, cyclopropane synthase (CmaA1)
Corresponding author’s e-mail: lhkamble@gmail.com