基于生物信息学的息痛散治疗痛风性关节炎的作用机制

A bioinformatics-based study on the mechanism of action of Xitongsan in the treatment of gouty arthritis

目的:挖掘中药复方息痛散的有效成分、预测其潜在功能靶标,通过网络药理学和实验验证的方法探讨息痛散治疗痛风性关节炎的作用机制。方法:利用TCMSP、TCMID数据库筛选出息痛散的活性成分及靶标;通过NCBI、GeneCards数据库筛选痛风性关节炎的疾病靶点;将两者靶点通过Cytoscape软件构建蛋白互作网络图并进行拓扑学分析;筛选出核心靶点;通过R软件进行KEGG和GO富集分析;最后分子对接及Western Blot实验验证网络药理学富集分析结果。结果:共筛选出146个活性成分以及158个关键靶点,涉及PI3K-Akt信号通路、TNF信号通路和MAPK信号通路等,实验验证显示通路关键节点蛋白存在差异性表达。结论:本研究系统揭示息痛散通过多成分-多靶点-多途径共同调控痛风性关节炎的物质基础和作用机制,为中药复方息痛散的临床应用提供理论基础和科学依据。

Objective To explore the active ingredients and predict the potential functional targets of the traditional Chinese medicine Xitongsan,and to explore the mechanism of action of Xitongsan in the treatment of gouty arthritis through network pharmacology and experimental validation.Methods TCMSP and TCMID databases were used for screening the active ingredients and targets of Xitongsan,while NCBI and GeneCards databases for screening the disease targets of gouty arthritis.Cytoscape software was utilized to construct protein interaction network maps and perform topological analysis on both targets for screening core targets out;and then KEGG and GO enrichment analyses were performed by R software.Finally,the results of the network pharmacology enrichment analysis were validated by molecular docking and Western Blot assay.Results A total of 146 active ingredients and 158 key targets were screened out,involving PI3K-Akt signaling pathway,TNF signaling pathway and MAPK signaling pathway,etc.The experimental validation showed that the key node proteins of the pathway were differentially expressed.Conclusion This study systematically reveals the material basis and mechanism of action of Xitongsan in regulating gouty arthritis through multicomponent-multitarget-multipathway,which provides a theoretical basis and scientific basis for the clinical application of the traditional Chinese medicine compound Xitongsan.