目的 基于網(wǎng)絡(luò)藥理學(xué)和分子對(duì)接研究雞骨草治療金黃色葡萄球菌導(dǎo)致的皮膚感染的作用機(jī)制。方法 通過(guò)TCMSP數(shù)據(jù)庫(kù)檢索雞骨草的活性成分及對(duì)應(yīng)靶點(diǎn)；利用GeneCards、OMIM數(shù)據(jù)庫(kù)檢索金黃色葡萄球菌所致皮膚感染的靶點(diǎn)；通過(guò)韋恩圖繪制平臺(tái)獲取雞骨草治療金黃色葡萄球菌導(dǎo)致的皮膚感染共同的作用靶點(diǎn)，將交集所得的共同靶點(diǎn)上傳至線上軟件STRING，構(gòu)建蛋白相互作用（PPI）網(wǎng)絡(luò)，并篩選出關(guān)鍵活性成分和核心靶點(diǎn)；基于核心作用靶點(diǎn)進(jìn)行基因本體（GO）和京都基因與基因組百科全書(shū)（KEGG）富集分析；通過(guò)AutoDockTools軟件進(jìn)行分子對(duì)接驗(yàn)證。結(jié)果 雞骨草對(duì)應(yīng)靶點(diǎn)157個(gè)，皮膚感染靶點(diǎn)共11 450個(gè)，金黃色葡萄球菌靶點(diǎn)共2 429個(gè)；PPI網(wǎng)絡(luò)分析獲得雞骨草治療金黃色葡萄球菌導(dǎo)致的皮膚感染的作用靶點(diǎn)151個(gè)；GO及KEGG富集分析得出雞骨草治療金黃色葡萄球菌所致的皮膚感染主要通過(guò)脂質(zhì)與動(dòng)脈粥樣硬化通路進(jìn)行，抑制促炎因子，雞骨草治療金黃色葡萄球菌導(dǎo)致的皮膚感染的作用機(jī)制主要與抗炎有關(guān)。分子對(duì)接結(jié)果顯示，雞骨草中漆黃素、β-谷甾醇和豆甾醇與CASP3、CASP8、CASP9具有一定的親合力。結(jié)論 雞骨草活性成分可作用于多條信號(hào)通路發(fā)揮治療金黃色葡萄球菌導(dǎo)致的皮膚感染的作用。

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

廣西中醫(yī)藥大學(xué)賽恩斯新醫(yī)藥學(xué)院大學(xué)生創(chuàng)新創(chuàng)業(yè)訓(xùn)練項(xiàng)目（X202413643113，X202413643114）；廣西中醫(yī)藥大學(xué)博士科研啟動(dòng)基金項(xiàng)目（2022BS017）；廣西中醫(yī)藥大學(xué)自然科學(xué)研究項(xiàng)目（2023MS017）；廣西中醫(yī)藥防治醫(yī)學(xué)分子生物重點(diǎn)實(shí)驗(yàn)室開(kāi)放課題（GXHC-MBTCM-03）；廣西人事廳青苗人才資金資助項(xiàng)目（0502405906）