Department of Human Anatomy,School of Basic Medicine,Nanjing Medical University
Objective: o investigate the mechanism of XuDuan in the treatment of osteoporosis (OP).Methods: The pharmacokinetic characteristics were used as the standard to obtain the active components of the XuDuan and predict the target of the relevant active components through Traditional Chinese Medicine Systems Pharmacology Database (TCMSP), and the targets of osteoporosis obtained from the GeneCards and DisGeNET databases were intersected to screen out potential targets for the treatment of osteoporosis by XuDun. Using the String database and Cytoscape software, we built a drug-active ingredient-osteoporosis-potential target network and a protein-protein interaction network between potential targets. Then, the gene ontology (GO) biological function and Kyoto Encyclopedia of Genes and Gnomes (KEGG) pathway enrichment of potential targets were analyzed through the Enrichr databases. At last, molecular docking of the active ingredients of XuDun with important target proteins was verified by AutoDock Vina software. Results: A total of 8 XuDuan active compounds were screened while 53 related targets were obtained by using the related target prediction technique. Also mapping with disease targets, 14 XuDun-OP disease intersection targets were sifted. Enrichment analysis shows that XuDun can regulate the development of OP through multiple mainstream signal pathways and cellular metabolic processes. At last, high molecular docking scores between active components and targets were obtained. Conclusion: In addition to directly acting on bone metabolism-related pathways, XuDun is also involved in regulating multiple upstream and downstream signaling pathways, thereby intervening in the progress of OP; which lays the foundation for further research on the pathogenesis and clinical treatment of OP.