Unraveling the Multi-Target Anti-Ovarian Cancer Mechanisms of Panax Notoginseng: Computational and Experimental Insights

Objective To explore potential multi-target anti-ovarian cancer mechanisms of Panax notoginseng (PN) using an integrated computational–experimental approach. Methods Network pharmacology was used to identify PN constituents, predict targets, and intersect them with ovarian cancer (OC) genes. Core targets were screened via a PPI network, followed by GO/KEGG enrichment. Predicted binding was evaluated by molecular docking and 100-ns MD simulations. In vitro validation was performed in A2780 cells to assess viability and migration, including combination with olaparib. Results A total of 127 putative anti-OC targets were identified for 8 PN components, and 7 core targets (HSP90AA1, TNF, TP53, CCND1, ESR1, MAPK1, AKT1) were highlighted. Enrichment suggested involvement of lipid metabolism/atherosclerosis and xenobiotic metabolism pathways. Docking suggested favorable predicted interactions, and MD supported stable behavior of representative complexes. PN-derived components, alone or with olaparib, reduced A2780 cell viability and migration under the tested conditions. Conclusion PN may modulate OC through multi-target mechanisms supported by computational predictions and in vitro observations. Further mechanistic and in vivo studies are needed to assess translational relevance.