1Ph.D. Scholar, Tatyasaheb Kore College of Pharmacy, Warananagar; Assistant Professor, Appasaheb Birnale College of Pharmacy, Sangli
2Ex Principal, Tatyasaheb Kore College of Pharmacy, Warananagar; Principal, SYBES's Bombay Institute of Pharmacy & Research, Dombivli (East), Maharashtra
The Covid-19 pandemic has triggered widespread global concern, as nations around the world strengthen their healthcare systems and public-health measures to prepare for anticipated waves of infection. This study aims to conduct in silico computational analyses of the phytoconstituents found in the leaf and stem extracts of Jatropha integerrima jacq., a medicinal herb. The goal is to evaluate whether these compounds could potentially be effective against the novel coronavirus causing the ongoing pandemic. In silico molecular docking studies were performed on 4 active compounds from Jatropha integerrima jacq. against the SARS-CoV-2 Main Protease (PDB 6M71), (PDB 6VYB), (6W4H). Ligand structures were prepared and optimized using Auto Dock Tools, and docking studies of the active site were carried out with Pyrx 8.0, a known inhibitor compound bound to the SARS-CoV-2 main protease (PDB 6M71), (PDB 6VYB), (6W4H), was used as the reference for comparison. The molecular docking of 4 bioactive compounds from Jatropha integerrima jacq. with the active site of the SARS-CoV-2 Main Protease protein (PDB 6M71), (PDB 6VYB), (6W4H) revealed varying degrees of interaction. These interactions, demonstrating different levels of inhibitory potential against. While the results suggest promising interactions between the phytochemicals in Jatropha integerrima jacq. and the SARS-CoV-2 Main Protease, further research and clinical trials are needed to determine whether this herb could be an effective treatment for managing and combating COVID-19.
Keywords: Molecular docking, Ayush Medicine, Traditional Medicine, Covid-19
How to cite this article: Magdum SS, Disouza JI. In Silico Analysis of Phytochemicals from Jatropha integerrima jacq. for Antiviral Potential Against the Coronavirus. Int J Drug Deliv Technol. 2026;16(13s): 493. DOI: 10.25258/ijddt.16.13s.53
Source of support: Nil.
Conflict of interest: None