基于网络药理学与分子对接探讨生血宝合剂治疗白细胞减少症的作用机制OA

Objective:To use network pharmacology and molecular docking technology to explore the mechanism of action of Shengxuebao Mixture in the treatment of leukopenia.Methods:Active ingredients and corresponding targets of Shengxuebao Mixture were screened via the TCMSP database.Targets associated with leukopenia were retrieved from GeneCards and Dis-GeNET databases.Common targets were obtained through intersection analysis,and Cytoscape3.10.0 software was used to con-struct a traditional Chinese medicine-active ingredient-target network.For further topological analysis to screen core targets,a pro-tein interaction network was constructed in the STRING database.AutoDock Vina 1.2.7 software was used for molecular docking of core active ingredients and targets,and the DAVID platform was used for GO function and KEGG pathway enrichment analy-sis.Results:A total of 91 active components of Shengxuebao Mixture were obtained.303 potential targets of Shengxuebao Mix-ture for the treatment of diseases were obtained.Quercetin,kaempferol,β-sitosterol may be the main active components for the ef-fects.TP53,AKT1,TNF and IL6 were identified as the core targets.KEGG enriched 186 items,and the main pathways were Toll-like receptors,NF-κB,PI3K/AKT,TNF,and IL-17 signaling pathway.The core active components were capable of effectively binding to the predicted core targets,as revealed by molecular docking analysis.Conclusion:These findings preliminarily eluci-date the multi-component,multi-target,and multi-pathway interactive effects of Shengxuebao Mixture against leukopenia,provid-ing a theoretical basis for further investigation into its mechanisms.