Mechanism of "Huang Qi-Yin Yang Huo" on the Treatment of Osteoporosis by Active Components Based on Network Pharmacology and Molecular Docking

Abstract

Objective: To investigate the effect of Huang Qi-Yin Yang Huo on osteoporosis (OP) by means of network pharmacology and molecular docking, in order to provide a basis for its basic research and clinical application. Methods: The active components and targets of the drug pair were obtained by means of TCMSP database and literature supplement. OMIM, GeneCards, DisGeNet, TTD and DrugBank databases were used to screen the targets related to osteoporosis, and Wayne tool was used to obtain the intersection targets. CytoScape 3.7.2 software was used to construct the "drug-ingredient-disease" network and screen core components according to node-degree values. Protein interaction network (PPI) was constructed with STRING 11.5, and core targets were screened according to node-degree values. Metascape was used for gene ontology (GO) functional enrichment analysis and Kyoto Encyclopedia of Gene and Genes (KEGG) pathway enrichment analysis, and the interactions between core components and core targets were verified by molecular docking. Results: 46 kinds of active components were identified by drug pair screening, and 128 intersection targets were identified. The target protein enrichment pathways included MAPK signaling pathway, PI3K-Akt signaling pathway, HIF-1 signaling pathway and estrogen signaling pathway. The results of Molecular docking showed that the core components had good binding ability with the core target. Conclusion: Huang Qi-Yin Yang Huo may treat osteoporosis through multi-target and multi-pathway treatment, mainly regulating osteoblast differentiation, osteoclast inhibition, cell apoptosis and inflammation regulation, etc., providing a new idea and method for further research on the mechanism of osteoporosis in the future.