Insights into Anti-Inflammatory Activity of Tinospora cordifolia: A Comparative Docking Study of Natural and Synthetic Compounds
Year: 2024
Type: article
Abstract: Inflammation is an essential immune response, but its dysregulation can result in chronic diseases. The quest for effective anti-inflammatory therapies has led to significant research into both synthetic drugs and natural bioactive compounds. This study explores the comparative anti-inflammatory potential of berberine, β-sitosterol, and celecoxib through in silico molecular docking techniques. The docking analysis focused on evaluating the binding affinities of these compounds to key pro-inflammatory targets, including cyclooxygenase-2 (COX-2), which are critical regulators of inflammation. Using AutoDock and Discovery Studio software, ligand-receptor interactions, binding energies, and interaction patterns were systematically analysed. This study highlights the potential of natural compounds in anti-inflammatory drug discovery and demonstrates the efficiency of in silico molecular docking as a cost-effective tool for identifying and prioritizing therapeutic phytoconstituents
Author: Madhurima Madhurima
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4406491748