Network pharmacology and docking of polyherbal formulation for cancer chemoprevention

Abstract

Herbal agents used in traditional medicine — notably Curcuma longa (turmeric), Withania somnifera (ashwagandha) and Ocimum spp. (tulsi/basil) — contain bioactive phytochemicals that modulate signaling networks relevant to carcinogenesis. We performed an integrative network-pharmacology analysis (active compound collection → target prediction → PPI network → GO/KEGG enrichment) and surveyed published molecular-docking studies to evaluate mechanisms that underlie chemopreventive potential. Prominent phytochemicals (curcumin and analogues; withaferin A and other withanolides; eugenol, rosmarinic/ursolic-type compounds) mapped to cancer-related proteins and hubs including AKT1, TP53, EGFR, MAPK family members, NF-κB and VEGFA, and the enriched pathways included PI3K-AKT, MAPK, apoptosis and NF-κB signaling. Published docking and in-silico reports indicate favorable binding of these phytoconstituents to multiple oncogenic targets, supporting a multi-target chemopreventive hypothesis. We provide a reproducible docking protocol (AutoDock Vina) and recommend focused in-vitro validation of prioritized herb-compound–target pairs