基于网络药理学及分子对接探讨恒古骨伤愈合剂抑制 2 型糖尿病成骨细胞铁死亡的潜在机制.

Objective To investigate the potential mechanism of osteoking in the treatment of type 2 diabetic osteoporosis by inhibiting osteoblast ferroptosis from the perspective of network pharmacology and molecular docking.Methods TCMSP database and BATMAN-TCM database were used to retrieve the components and targets of traditional Chinese medicine, and GeneCards and OMIM database were used to obtain the disease targets of osteoporosis in type 2 diabetes.The PPI protein interaction network was constructed with STRING11.0 database, and topological analysis was performed to screen important targets in the network. The potential therapeutic targets were imported into the DAVID online database for gene ontology(GO) enrichment analysis and gene and genome encyclopedia(KEGG) pathway enrichment analysis.Finally, molecular docking simulation was performed to verify the results of network pharmacology.Results A total of 223 potential therapeutic targets were obtained through network pharmacology screening.The key active substances of osteoking in the treatment of type 2 diabetic osteoporosis are luteolin, 20(R)-ginsenoside Rh2, kaempferol, baicalein, beta-sitosterol, etc.The key targets are IL-6, Akt, TNF, MAPK3, HIF-1A, etc.The results of GO and KEGG analysis showed that the treatment of osteoporosis in type 2 diabetes by osteoking mainly included biological processes such as lipopolysaccharide response, hypoxia response, and inflammatory response, and regulated HIF-1A, TNF, IL-17, PI3K/Akt and other signaling pathways.The results of molecular docking showed that 7-O-methylisoprostol, baicalein, kaempferol, and quercetin had good binding activity with HIF-1A.Conclusion Through network pharmacology and molecular docking technology, it is found that osteoking may treat type 2 diabetic osteoporosis through multiple targets, and may reduce oxidative stress and inhibit osteoblast ferroptosis through HIF-1A signaling pathway to treat type 2 diabetic osteoporosis. [ABSTRACT FROM AUTHOR]