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Lead compounds identified either by natural sources or virtual screening are subjected to extensive chemical modification to explore their pharmacophoric space and modify their physiochemical properties to understand their structure-activity relationships and to attain maximum potency and optimum pharmacokinetic properties.
Molecular modeling studies towards the discovery and design of new biologically active compounds having new scaffolds employing docking simulations, pharmacophoric mapping, QSAR and 3D-QSAR analysis, and virtual screening. Particular interest focus on cancer and neurological diseases such as Parkinson and Huntington's disease.
Application of natural and synthetic polymers, particularly biodegradable, in the development of new drug delivery systems for various applications and routes.