目的 运用网络药理学和分子对接技术探讨山香圆叶治疗细菌性肺炎的作用机制。方法 通过中药系统药理数据库与分析平台、Web of Science和中国知网等数据库检索山香圆叶的有效成分，利用Swiss Target Prediction数据库获取山香圆叶活性成分的靶点，利用GeneCards、OMIM收集相关的细菌性肺炎靶点。取化合物靶点和疾病靶点的交集靶点即为山香圆叶治疗细菌性肺炎的潜在靶点，利用STRING数据库构建靶点的蛋白质相互作用网络，并将结果导入Cytoscape软件进行拓扑分析，提取核心靶点。运用DAVID数据库对核心靶点进行基因本体（GO）和京都基因与基因组百科全书（KEGG）通路富集分析，构建“活性成分–核心靶点–通路”网络，最后通过Discovery Studio进行分子对接，验证核心成分和核心靶点的相互作用。结果 共获得活性成分17个、疾病靶点1 687个，核心靶点10个，涉及339个GO条目和127条KEGG通路。槲皮素、木犀草素、山楂酸和十八碳-9,12,15-三烯酸等可能是山香圆叶抗细菌性肺炎的活性成分，表皮生长因子受体（EGFR）、端粒酶逆转录酶（TERT）、精氨酸酶（ARG1）等为关键靶点，涉及碳水化合物消化吸收、卵巢类固醇生成、精氨酸和脯氨酸代谢、醚脂代谢、黑色素生成和细胞质DNA感应通路等。进一步分子对接结果表明山香圆叶的槲皮素和木犀草素与EGFR、TERT、ARG1均具有良好的结合活性。结论 山香圆叶可能通过槲皮素和木犀草素等活性成分，作用于EGFR、TERT、ARG1等蛋白的表达实现治疗细菌性肺炎的作用。

Objective To explore the mechanism of Turpiniae Folium in treatment of bacterial pneumonia based on network pharmacology and molecular docking. Methods The effective components of Turpiniae Folium were searched through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform, Web of Science and China Knowledge Network. Swiss Target Prediction database was used to obtain the target of the active components of Turpiniae Folium. GeneCards and OMIM were used to collect relevant bacterial pneumonia targets. The intersection target of compound target and disease target was taken as the potential target for Turpiniae Folium in treatment of bacterial pneumonia. The protein interaction network of the target was constructed by using STRING database, and the results were imported into Cytoscape software for topology analysis to extract the core target. DAVID database was used to perform GO function enrichment analysis and KEGG pathway enrichment analysis on the core targets, and the “active ingredient-core target-pathway” network was constructed. Finally, molecular docking was performed through Discovery Studio to verify the interaction between core components and core targets. Results A total of 17 active ingredients, 1 687 disease targets and 10 core targets were obtained, involving 339 GO entries and 127 KEGG pathways. Quercetin, luteolin, maslinic acid, and octadec-9,12,15-trienoic acid may be the active components of Turpiniae Folium against bacterial pneumonia, among which EGFR, TERT, ARG1 were key targets, involving carbohydrate digestion and absorption, ovarian steroidogenesis, arginine and proline metabolism, ether lipid metabolism, melanin production and cytoplasmic DNA sensing pathways. Further molecular docking results showed that quercetin and luteolin had good binding activity with EGFR, TERT, ARG1. Conclusion Turpiniae Folium may treat bacterial pneumonia by acting on the expression of EGFR, TERT, ARG1 and other proteins through active ingredients such as quercetin and luteolin.

R965;R974

江西省林业科学院基础研究与人才科研专项（2023522804）；江西省重大科技研发专项“揭榜挂帅”企业需求类项目（20233AAE02017）