Research Projects
Post-doctoral research projects
Actin filament modeling and MD simulation
Understanding the Differences between Rabbit and Plasmodium Actin Filament Structure:
Cytochrome P450 - membrane interactions
Identification of Optimal CYP-membrane Interactions.
Cytochrome P450 - Cytochrome P450 Reductase membrane interactions:
Dynamics of the Complex of Cytochrome P450 and Cytochrome P450 Reductase in a Phospholipid Bilayer.Research projects during Ph.D. tenure
During my Ph.D. tenure at National Institute of Pharmaceutical Education and Research (NIPER), I successfully completed several collaborative projects on computer‑aided drug design and molecular modeling studies of anticancer compounds on various drug targets including CYP1A1 (Expert Opin. Drug Discov. 2012, Med. Chem. Res. 2013, Euro. J. Med. Chem. 2016), epidermal growth factor receptor (Gene 2014, RSC Advances 2016), DNA intercalating agents (Bio. Med. Chem. Lett. 2012, J. Mol. Recog. 2014), and androgen receptor (RSC advances 2014), etc. These projects and scientific contributions are described below;
CYP-mediated drug metabolism predictions studies
In silico and In vitro methods
Understanding DNA Binding Properties of Anticancer Compounds.
EGFR targeted anticancer drug design:
Design and in silico screening of EGFR targeted anticancer compounds.
GitHub repository: https://github.com/prajwal07
Hackathon session on the development of a tool for setting up MD simulation: https://www.h-its.org/news/cecam-workshop-hackathon/
ReSite tool, which can be used for the analysis of molecular docking results: http://www.niper.ac.in/pi_dev_tools/ReSite/resite_index.html
Cytochrome P450 2C19 mediated metabolism of drugs: Molecular docking and MetaSite analysis
Project Supervisor: Prof. Prasad V. Bharatam, Department of Pharmacoinformatics, NIPER, S.A.S. Nagar.
The identification of optimum protocol to solve the CYP450 mediated drug metabolism profile of NCE
Worked in Industry - Academia collaborative project for one year during M. S. (Pharm.)
Project Supervisors: Prof. Prasad V. Bharatam, Department of Pharmacoinformatics, NIPER, S.A.S. Nagar. and Dr. Prashant V. Desai, Eli Lilly, Department of Drug Metabolism and Disposition, Indianapolis, United States.