About Our efforts are geared towards understanding the reaction mechanism in enzymes which are involved in drug metabolism specifically cytochromeP450 and FMO at molecular and electronic level, and towards the development of new insights which helps to prevent drug- drug interactions. We are attempting to decipher the subtly findings of the molecular reactivity and pathways involved in the MBI of cytochromeP450s. Moreover, we are exploring the extreme toxicological studies of certain reactive metabolites using computational methods for the better understanding of the toxic reaction mechanisms of the drugs at atomic and electronic level.
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