Anu Manhas

The overall aim of my research work is to apply the computational methodologies for drug design to address the problems related to the drug resistance. Research activities include structure-based drug design like multicomplex based pharmacophore modeling and molecular docking, virtual screening methods like drug-likeness studies and ADMET properties, molecular dynamics simulations and free energy calculations. In this regard, we use structure-based drug design methods to search for natural compounds targeted to specific diseases, in particular, malaria and tuberculosis.