Multi-Pathway Inhibition by Rosmarinic Acid in Endometritis: Intrinsic Network Pharmacology and Molecular Docking Insights
Hemanth Kumar Manikyam *
Faculty of Science, Department of Pharmacology, North East Frontier Technical University, West Siang Distt, Aalo-791001, Arunachal Pradesh, India and Chalapathi Institute of Pharmaceutical Sciences, Acharya Nagarjuna University, Guntur, India.
Sunil K. Joshi
Department of Pediatrics, School of Medicine, University of Miami Miller, Miami, FL, USA.
*Author to whom correspondence should be addressed.
Abstract
A systematic Intrinsic network pharmacology methodology was employed to determine the multi-target therapeutic activity of Rosmarinic acid in endometritis. Prediction of target proteins was performed using Swiss Target Prediction and PharmMapper, followed by protein–protein interaction (PPI) network construction via the STRING database and Cytoscape. KEGG pathway enrichment with DAVID and Enrichr revealed significant involvement of inflammation-related signaling pathways. Five inflammatory targets of high confidence (TLR4, TNF-α, NF-κB p65, PI3K, and NLRP3) were docked using AutoDock Vina and visualized via PyMOL and Discovery Studio Visualizer. Strong binding affinities to TLR4 and TNF-α suggest potential inhibition of key inflammatory nodes. The results support Rosmarinic acid's promise as a multi-target anti-inflammatory agent, warranting further in vitro and in vivo studies.
Keywords: Intrinsic network pharmacology (INP), rosmarinic acid, endometritis, AutoDock Vina, TLR4