黑龙江八一农垦大学学报

为探讨黄芪在缓解奶牛乳房炎中的作用机制，研究采用网络药理学方法并辅以分子对接模拟验证，为黄芪的临床应用提供参考。从中药系统药理学数据库（TCMSP）、基因数据库（GeneCards）和人类孟德尔遗传数据库（OMIM）中，筛选并确定黄芪的有效成分及奶牛乳房炎的相关靶点，借助蛋白质数据库（UniProt）进行标准化处理。利用Venny 2.1在线工具，获取黄芪与奶牛乳房炎的共同靶点；运用AutoDockTools 1.5.6软件进行分子对接模拟，探究分子间的相互作用及潜在机制。研究结果显示，筛选得到黄芪主要活性成分16种（包括槲皮素、山奈酚等），奶牛乳房炎相关靶点377个，二者共同靶点21个。PPI网络分析筛选出TNF、IL1B等关键靶点。分子对接验证结果表明，黄芪活性成分与部分关键靶点间具有良好的结合活性。GO功能富集分析共获得61种生物进程、8种分子功能和9种细胞组分，KEGG通路富集分析共得到81条信号通路。综上，研究表明，黄芪中槲皮素、山奈酚等16种主要活性成分，可通过作用于TNF、IL6、IL1B等关键靶点发挥治疗作用，并通过疟疾通路、IL-17信号通路等81条通路缓解奶牛乳房炎。

To explore the mechanism of Astragalus membranaceus in alleviating bovine mastitis,network pharmacology methods were employed,supplemented by molecular docking simulation validation,aiming to provide a reference for the clinical application of Astragalus membranaceus.The active ingredients of Astragalus membranaceus and targets related to bovine mastitis were screened and identified using the traditional Chinese medicine systems pharmacology(TCMSP)database,gene cards and the online mendelian inheritance in man(OMIM)database.Data were standardized using the UniProt databases.The venny 2.1 online tool was utilized to identify common targets between Astragalus membranaceus and bovine mastitis.Molecular docking simulations were performed using AutoDockTools 1.5.6 software to explore intermolecular interactions and potential mechanisms.The results showed that 16 main active components of Astragalus membranaceus(including quercetin,kaempferol,etc)were screened,along with 377 bovine mastitis-related targets,yielding 21 common targets.Key targets such as TNF and IL1B were identified through PPI network analysis.Good binding activity between the active components of Astragalus membranaceus and some key targets was confirmed by molecular docking validation.A total of 61 biological processes,8 molecular functions,and 9 cellular components were obtained from GO functional enrichment analysis,and 81 signaling pathways were identified via KEGG pathway enrichment analysis.Finally,it was concluded that16 main active ingredients in Astragalus membranaceus,such as quercetin and kaempferol,might exert therapeutic effects by acting on key targets like TNF,IL6,IL1B,and alleviate bovine mastitis through 81 pathways,including the malaria pathway and the IL-17 signaling pathway.