目的 基于网络药理学和分子对接研究鸡骨草治疗金黄色葡萄球菌导致的皮肤感染的作用机制。方法 通过TCMSP数据库检索鸡骨草的活性成分及对应靶点；利用GeneCards、OMIM数据库检索金黄色葡萄球菌所致皮肤感染的靶点；通过韦恩图绘制平台获取鸡骨草治疗金黄色葡萄球菌导致的皮肤感染共同的作用靶点，将交集所得的共同靶点上传至线上软件STRING，构建蛋白相互作用（PPI）网络，并筛选出关键活性成分和核心靶点；基于核心作用靶点进行基因本体（GO）和京都基因与基因组百科全书（KEGG）富集分析；通过AutoDockTools软件进行分子对接验证。结果 鸡骨草对应靶点157个，皮肤感染靶点共11 450个，金黄色葡萄球菌靶点共2 429个；PPI网络分析获得鸡骨草治疗金黄色葡萄球菌导致的皮肤感染的作用靶点151个；GO及KEGG富集分析得出鸡骨草治疗金黄色葡萄球菌所致的皮肤感染主要通过脂质与动脉粥样硬化通路进行，抑制促炎因子，鸡骨草治疗金黄色葡萄球菌导致的皮肤感染的作用机制主要与抗炎有关。分子对接结果显示，鸡骨草中漆黄素、β-谷甾醇和豆甾醇与CASP3、CASP8、CASP9具有一定的亲合力。结论 鸡骨草活性成分可作用于多条信号通路发挥治疗金黄色葡萄球菌导致的皮肤感染的作用。

Objective To study the mechanism of action of Abri Herba in the treatment of skin infection caused by Staphylococcus aureus based on network pharmacology and molecular docking technology. Methods The active ingredients and corresponding targets of Abri Herba were collected from the TCMSP database. GeneCards and OMIM databases were used to search the disease targets of skin infection caused by S. aureus. The targets shared by Abri Herba and skin infection caused by S. aureus were obtained through the Venny diagram platform, and STRING online analysis platform to construct PPI networks, and screen out key active ingredients and core targets. Enrichment analysis of GO and KEGG based on the core target. AutoDockTools software was used to verify the molecular docking. Results Abri Herba has 157 corresponding targets, a total of 11 450 skin infection targets, and a total of 2 429 targets of S. aureus. PPI network analysis obtained 151 targets of Abri Herba in the treatment of skin infection caused by S. aureus. GO and KEGG shows that the treatment of skin infections caused by S. aureus is mainly carried out through the lipid and atherosclerosis pathway to inhibit pro-inflammatory factors. Therefore, the mechanism of action of Abri Herba in treatment of skin infections caused by S. aureus is mainly related to anti-inflammatory. Molecular docking results show that fisetin, stigmaterol, beta-sitosterol and CASP3, CASP8, CASP9 in Abri Herba has a certain affinity. Conclusion The active ingredients of Abri Herba can act on multiple signaling pathways to treat skin infections caused by S. aureus.

R285

广西中医药大学赛恩斯新医药学院大学生创新创业训练项目（X202413643113，X202413643114）；广西中医药大学博士科研启动基金项目（2022BS017）；广西中医药大学自然科学研究项目（2023MS017）；广西中医药防治医学分子生物重点实验室开放课题（GXHC-MBTCM-03）；广西人事厅青苗人才资金资助项目（0502405906）