基于网络药理学和分子对接探讨麻黄鱼腥散治疗牛支原体肺炎的作用机制  

Action mechanism of Mahuang Yuxingcao San in treatment of Mycoplasma bovis pneumonia based on network pharmacology and molecular docking

作　　者：郭亚男 祁燕蓉 杨萌萌 李珂[1,3] 邵喜成 梁小军 GUO Ya-nan;QI Yan-rong;YANG Meng-meng;LI Ke;SHAO Xi-cheng;LIANG Xiao-jun(Institute of Animal Science,Ningxia Academy of Agriculture and Forestry,Yinchuan 750002,China;Agriculture and Rural Bureau,Helan County,Helan,Ningxia 750200,China;College of Animal Science and Technology,Ningxia University,Yinchuan 750021,China;Center for Disease Control and Prevention,Xiji County,Xiji,Ningxia 756200,China)

机构地区：[1]宁夏农林科学院动物科学研究所,银川750002 [2]宁夏贺兰县农业农村局,宁夏贺兰750200 [3]宁夏大学动物科技学院,银川750021 [4]宁夏西吉县疾病预防控制中心,宁夏西吉756200

出　　处：《西南农业学报》2025年第2期411-421,共11页Southwest China Journal of Agricultural Sciences

基　　金：宁夏自然科学基金项目(2023AAC03890);西吉县科技研发计划项目(2024KJYF001)。

摘　　要：【目的】探究麻黄鱼腥散治疗牛支原体肺炎的作用机制。【方法】通过中药系统药理学数据库与分析平台(TCSMP)筛选麻黄鱼腥散中有效成分的作用靶点。采用GeneCards、OMIM、DrugBank、CTD和PharmGkb数据库搜索与牛支原体肺炎相关的靶点。取化合物靶点和疾病靶点的交集,获取麻黄鱼腥散治疗牛支原体肺炎的潜在作用靶点。采用Cytoscape软件构建“MHYXS-牛支原体肺炎-靶点”网络图。将交集靶点导入STRING数据库构建PPI蛋白互作网络并结合拓扑学分析筛选关键靶点。随后通过基因本体(GO)功能富集、京都基因与基因组百科全书(KEGG)通路富集分析对交集靶点进一步细化研究,最后使用Autodock Vina软件对关键靶点与作用的活性化合物进行分子对接。【结果】从麻黄鱼腥散5味药材中筛选有效成分106个,潜在作用靶点125个;筛选牛支原体肺炎靶点9090个;预测得到麻黄鱼腥散治疗牛支原体的潜在作用靶点共119个;蛋白互作网络分析发现,CDK1和CCNA2可能是麻黄鱼腥散治疗牛支原体肺炎的核心靶点;经GO富集分析得到890个细胞生物学过程,主要涉及刺激反应的正向调节、凋亡过程和程序性细胞死亡等生物学过程;KEGG通路富集分析获得166条相关信号通路,主要包括PI3K、TNF、IL17和MAPK等信号通路;分子对接结果显示,CDK1与黄芩素有较高亲和力,CCNA2与脱氧喜树碱具有较高亲和力。【结论】麻黄鱼腥散可能通过黄芩素、脱氧喜树碱等活性成分作用于CDK1和CCNA2等靶点,通过PI3K、TNF和IL-17信号通路等发挥治疗牛支原体肺炎的作用。【Objective】The present paper aimed to investigate the action mechanism of Mahuang Yuxingcao San in the treatment of Mycoplasma bovis pneumonia.【Method】The target of active components of Mahuang Yuxingcao San was predicted by using the TCM Systematic Pharmacology database and analysis platform(TCSMP).GeneCards,OMIM,DrugBank,CTD and PharmGkb databases were used to search for targets associated with M.bovis pneumonia.The intersection of compound target and disease target was selected to obtain the potential target of Mahuang Yuxingcao San in the treatment of M.bovis pneumonia.The drug-disease-target network was constructed by Cytoscape software.The intersection targets were imported into the STRING database to construct the PPI protein interaction network,and the key targets were screened by topological analysis.Then,the target was further enriched by gene ontology(GO) function and the Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway.Finally,Autodock Vina software was used for molecular docking of the selected core targets and active compounds.【Result】A total of 106 active ingredients and 125 potential targets were screened from 5 herbs of Mahuang Yuxingcao San.9090 targets of M.bovis pneumonia were obtained.There were 119 potential targets for the anti-M.bovis resistance of Mahuang Yuxingcao San;Protein interaction network analysis revealed that CDK1 and CCNA2 might be the core targets of Mahuang Yuxingcao San in the treatment of M.bovis pneumonia.The GO enrichment analysis yielded 890 cell biological processes,which were mainly involved in the positive regulation of stimulus responses,apoptotic processes and programmed cell death,and other biological processes.KEGG pathway enrichment analysis obtained 166 related signaling pathways,mainly including PI3K,TNF,IL17,and MAPK signaling pathways.Molecular docking showed that CDK1 had a high affinity for baicalein and CCNA2 had a high affinity for deoxycamptothecin.【Conclusion】Mahuang Yuxingcao San may act on CDK1,CCNA2,and other targets through baic

关 键 词：麻黄鱼腥散 牛支原体肺炎 网络药理学 分子对接 作用机制 

分 类 号：S853.74[农业科学—临床兽医学]