目的 运用网络药理学及分子对接技术探究夏枯草抗脑胶质瘤的多成分、多靶点、多通路作用机制。方法 通过TCMSP、BATMAN-TCM、HERB数据库查找夏枯草的相关成分靶点；在GeneCards、OMIM数据库查找获得脑胶质瘤的相关靶点；将二者汇总去重后取交集得到夏枯草抗脑胶质瘤的潜在靶点。将交集基因导入STRING构建蛋白相互作用（PPI）网络图，用Cytoscape进行网络拓扑分析，并利用CytoNCA插件确定核心靶点和核心药物成分，并做“药物–成分–靶点”图。在DAVID数据库开展基因本体（GO）生物功能及京都基因组百科全书（KEGG）通路富集分析，用Cytoscape绘制“药物成分–疾病靶点–通路”图。通过AutoDock Vina进行分子对接验证。结果 筛选出夏枯草有效成分42个，靶点806个。脑胶质瘤靶点1 802个，得到234个交集靶点。GO富集分析得到1 569个条目，172个KEGG富集分析通路，主要涉及癌症相关信号通路、磷脂酰肌醇3-激酶（PI3K）/蛋白激酶B1（Akt）信号通路、肿瘤坏死因子信号通路等。通过CytoNCA分析筛选出肿瘤蛋白p53（TP53）、Akt1、MYC原癌基因（MYC）、致癌转录因子信号转导和转录激活因子3（STAT3）、表皮生长因子受体（EGFR）等可能为核心靶点，槲皮素、木犀草素、山柰酚、桑黄素、乌苏酸等可能为夏枯草抗脑胶质瘤的核心成分。分子对接验证得出，核心成分与核心靶点均能较好结合。结论 夏枯草抗脑胶质瘤可能涉及槲皮素、木犀草素、山柰酚、桑黄素、乌苏酸，TP53、Akt1、MYC、STAT3、EGFR，PI3K/Akt信号通路、肿瘤坏死因子信号通路等多成分、多靶点、多通路途径。

Objective To explore the multi-component, multi-target and multi-pathway mechanism of Prunellae Spica in treatment of glioma effect by using network pharmacology and molecular docking techniques. Method Search for the related component targets of Prunellae Spica through the TCMSP, BATMAN-TCM, HERB databases, search for the relevant targets of glioma in the GeneCards and OMIM databases. After summarizing the two and removing duplicates, the intersection was taken to obtain the potential target of Prunellae Spica in treatment of glioma. After importing the intersection genes into STRING for PPI network. Cytoscape was used for network topology analysis, and the CytoNCA plugin was utilized to determine the core targets and core drug components, and a “drug-component-target” diagram was created. GO biological function and KEGG pathway enrichment analysis were conducted in the DAVID database, and the “drug component - disease target - pathway” map was plotted using Cytoscape. Molecular docking verification was carried out through AutoDock Vina. Result 42 Effective components and 806 targets of Prunellae Spica were screened out. There were 1 802 glioma targets, resulting in 234 intersection targets. GO enrichment analysis yielded 1 569 items and 172 KEGG enrichment analysis pathways, mainly involving cancer-related signaling pathways, PI3K/Akt signaling pathways and TNF signaling pathways, etc. Through CytoNCA analysis, TP53, Akt1, MYC, STAT3, EGFR, etc, were screened out as possible core targets, and quercetin, luteolin, kaempferol, morin, ursolic acid, etc, might be the core components of Prunellae Spica in treatment of glioma. Molecular docking verification shows that both the core components and the core targets can bind well. Conclusion The effects of Prunellae Spica in treatment glioma perhaps involve quercetin, luteolin, kaempferol, morin, ursolic acid, TP53, Akt1, MYC, STAT3, EGFR, PI3K/Akt, and TNF signaling pathways etc, through multi-component - multi-target - multi-pathway approaches.

国家自然科学基金面上项目（82274498）；山西省科技厅科技创新人才团队项目（202304051001046）；山西省中医药管理局中医药传承创新培育团队项目（zyytd2024007）；中央引导地方科技发展资金项目（YDZJSX2025D082）；山西省基础研究计划自然科学研究面上项目（202303021211240）