Sanjay Valliappan

I am a third-year Bachelor of Pharmacy student at Saveetha College of Pharmacy (SIMATS) with a strong academic foundation in Computer-Aided Drug Design and Bioinformatics. My research interests lie in applying computational approaches to study biomolecular systems, with a focus on natural product–based drug discovery and structure-based molecular modeling. I have hands-on experience in molecular docking, molecular dynamics simulations, and protein–ligand interaction analysis, along with free energy-based evaluation of biomolecular systems.

My research work includes in silico studies on disease-relevant protein targets and the computational screening of phytochemicals and hybrid molecules for therapeutic potential, spanning areas such as cancer biology, antimicrobial resistance, and quorum sensing mechanisms. I have contributed to the development of computational workflows for molecular dynamics simulation setup and automated trajectory analysis to improve reproducibility and efficiency in simulation studies. I have also developed the IMPPAT 2.0 Bulk Downloader, a GitHub-hosted tool for phytochemical data extraction, supporting natural product–based research workflows.

My work integrates computational drug discovery with natural product databases and phytochemical screening, with a broader interest in systems-level biological interpretation of plant-derived compounds and biomolecular interactions. I am keen to work under expert guidance in computational biology, phytochemical systems, and plant-derived molecular research, and to contribute to interdisciplinary studies integrating bioinformatics, natural product science, and computational modeling approaches relevant to plant systems and drug discovery.

Bachelor of Pharmacy (B.Pharm) - Pharmacy - Saveetha College of Pharmacy, SIMATS (2023-01 - 2027-12)

School Certificate - CBSE - Ryan International School