Integrated network pharmacology, and molecular docking characterization of the hepatoprotective properties of dendrobine

Dendrobium has long been used in traditional medicine to manage liver disorders. Dendrobine is a major alkaloid compound isolated from Dendrobium that has demonstrated promising hepatoprotective activity in preliminary pharmacological studies, but the molecular mechanisms through which it functions remain insufficiently defined. Here, we elucidated the potential mechanisms by which dendrobine mitigates liver injury using an integrative approach that combines network pharmacology with molecular docking. Putative dendrobine-associated targets relevant to liver injury were first predicted through network pharmacology analyses. A protein-protein interaction (PPI) network was subsequently constructed to identify central therapeutic targets. Molecular docking was then applied to validate the interactions between dendrobine and key proteins. Ten core targets were ultimately identified (NR1H4, ESR1, KDR, NOS3, GSK3B, IL-2, CASP3, PRKACA, PPARA and PPARG), and dendrobine showed strong predicted affinity for these proteins. These findings indicate that dendrobine may exert hepatoprotective effects by modulating these central molecular targets and associated signaling proteins. Overall, this work provides a systematic framework for delineating the pharmacological actions and potential protein targets of natural bioactive compounds.