The centre is actively engaged
in research activities of the Institute related to drug
designing for cancer and infection. The in silico group
closely interacts with the Medicinal Chemistry and Pharmacology
groups of the Institute for developing theoretical models
and providing chembioinformatics support for the current
research activities of the Institute. Major activities
involves virtual screening of compound repositories
(within and outside the Institute) against selected
targets, 3D structure prediction of bacterial efflux
pumps, Molecular docking, QSAR & Pharmacophore modeling
studies besides the development of chembioinformatics
tools and databases useful for the current research
activities of the Institute.
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