Network pharmacology combined with molecular docking to explore the anti-osteoporosis mechanisms of β-ecdysone derived from medicinal plants

β-Ecdysone is a phytosteroid derived from multifarious medicinal plants, such as root ( ) and , possessing the potential anti-osteoporosis effect. However, the underlying mechanisms for β-ecdysone treating osteoporosis remain unclear. This study aims to explore the molecular mechanisms of β-ecdysone against osteoporosis by network pharmacology and molecular docking. First, the potential targets of β-ecdysone and osteoporosis were predicted by public databases. Protein interaction and functional enrichment analyses of potential targets were performed using the STRING and Gene Ontology and Kyoto Encyclopedia of Genes and Genomes pathway databases. Finally, hub targets were identified from network pharmacology, and their interaction with β-ecdysone was validated by molecular docking. Results showed that 47 potential targets were related to the mechanisms of β-ecdysone treating osteoporosis. Enrichment analyses revealed that the potential targets were mainly associated with steroid biosynthetic and metabolic processes, as well as HIF-1 and estrogen signaling pathways. By protein–protein interaction network analysis, top 10 hub targets were screened, including TNF, ALB, SRC, STAT3, MAPK3, ESR1, PPARG, CASP3, TLR4, and NR3C1. Molecular docking showed that β-ecdysone had good affinity with TLR4, TNF, and ESR1. Therefore, β-ecdysone might exert therapeutic effect on osteoporosis development via targeting TLR4, TNF, and ESR1 and regulating HIF-1 and estrogen pathways.