School of Pharmacy
The University of Mississippi

Dr. Pankaj Pandey

Posted on: March 11th, 2019 by
Research Scientist in the National Center for Natural Products Research
304-H TCRC West


  • Postdoctoral Research Associate (2019-2020), National Center for Natural Products Research, School of Pharmacy, University of Mississippi, USA
  • Postdoctoral Research Associate (2016-2019), Department of BioMolecular Sciences, School of Pharmacy, University of Mississippi, USA
  • Ph.D. in Pharmaceutical Sciences (2015), University of Mississippi, USA
  • M. Pharm (2007), S.G.S.I.T.S Indore, India
  • B. Pharm (2005), S.G.S.I.T.S Indore, India


  • Research Scientist in NCNPR

Research Interests:

Dr. Pandey’s research is primarily focused on discovery of potential disruptors of CB1R:5HT2AR heteromer to mitigate the THC-induced cognitive impairment, prediction of drug-interaction potential of botanicals, design and identification of natural product analogs for various therapeutic targets, understanding of the basic mechanism of protein-ligand interactions, and identification of new drug-like hits using state-of-the-art physics-based computational tools. Dr. Pandey is actively engaged in various projects which focused on protein-protein interactions, determination of absolute configurations of natural products (ECD, OR, and NMR prediction), ADME predictions, QSAR, cyclodextrin-ligand inclusion complexes, G-protein coupled receptors (GPCRs)/Integral membrane enzymes homology modeling and molecular dynamics simulations, binding free-energy calculations, metadynamics, protein structure-based and ligand-based virtual screening, and identification and characterization of allosteric sites of phytocannabinoids and their potential modes of interaction with the cannabinoids/opioids receptor using computational approaches.