AM
0000-0003-2759-9845 About
My research expertise lies in computer-aided drug design (CADD), where I employ methods such as multi-complex pharmacophore modeling, molecular docking, virtual screening (including drug-likeness and ADMET studies), molecular dynamics simulations, and free energy calculations. Additionally, I use density functional theory (DFT) to study sensing applications. Through collaboration with experimental teams, I aim to validate computational findings and contribute to the development of innovative solutions in drug discovery and sensing technologies.
Employment
-
Pandit Deendayal Petroleum University Assistant Professor2020 - Present
Education
-
Central University of Gujarat Ph.D2016 - 2020
-
Central University of Gujarat M.Phil2014 - 2015
Projects & Funding
Projects & funding information is unavailable.
Publications (25)
- Synthesis, structural analysis and in silico Keap1-Nrf2 protein-protein interaction inhibition studies of N-(4-oxo-2-phenyl-4H-chromen-7-yl)benzenesulfonamide derivatives Save
- Rational Design of PANI Sensors for Detection of Ammonia and Ethyl-Substituted Aliphatic Amines: A Dual Experimental-Theoretical Strategy Save
- From biomass to bioactivity: Butea monosperma bark-derived carbon quantum dots for benzopyran synthesis and their in silico studies Save
- Structural, Supramolecular, and Computational Investigation of N-(1,3-Thiazol-2-yl)benzenesulfonamide Derivatives for Antibacterial Target Identification Against Staphylococcus aureus and Escherichia coli Save
- Integrated synthesis, molecular mechanics, quantum mechanics and in vitro studies of triazine derivatives as anticancer compounds Save
- AI/ML‐Driven DPP‐4 Inhibitor Predictor (d4p_v1) for Enhanced Type 2 Diabetes Mellitus Management: Insights Into Chemical Space, Fingerprints, and Electrostatic Potential Maps Save
- Integrating machine learning with in silico studies and Quantum Chemistry: Exploring novel compounds through multiscale screening targeting the CDK2 enzyme Save
- Excited state intramolecular proton transfer as a consequence of excited state aromaticity changes Save
- Identification of natural compound inhibitors for substrate-binding site of MTHFD2 enzyme: Insights from structure-based drug design and biomolecular simulations Save
- From botanical waste to a biocatalyst: Kigelia pinnata flower-derived CQDs for triazolidine-3-thione synthesis and their in silico evaluation Save