基于网络药理学与分子对接探讨麻黄附子细辛汤治疗老年支气管哮喘作用机制  

Exploring the Potential Mechanism of Mahuang Fuzi Xixin Decoction in Treating Elderly Bronchial Asthma Based on Network Pharmacology and Molecular Docking Technology

作　　者：于洪鹏 魏小桐 郝亮 蒋国陆 王宏羽 仕丽[2] Yu Hongpeng;Wei Xiaotong;Hao Liang;Jiang Guolu;Wang Hongyu;Shi Li(Changchun University of Chinese Medicine,Changchun 130000,China;The Hospital Affiliated toChangchun University of Chinese Medicine,Changchun 130000,China)

机构地区：[1]长春中医药大学,吉林长春130000 [2]长春中医药大学附属医院,吉林长春130000

出　　处：《亚太传统医药》2025年第1期111-120,共10页Asia-Pacific Traditional Medicine

基　　金：吉林省科学技术厅项目-科技创新基地(平台)建设-吉林省中医呼吸病临床医学研究中心(YDZJ202202CXJD049)。

摘　　要：目的:利用网络药理学与分子对接,探讨麻黄附子细辛汤治疗老年支气管哮喘的关键活性成分、核心靶点基因及作用机制。方法:通过TCMSP、SwissTargetsPrediction、UniProt数据库检索和筛选,获得麻黄附子细辛汤的活性成分及相关靶点;利用GeneCards、OMIM和Pharm GKB数据库搜索老年支气管哮喘的相关靶点,筛选出药物活性成分与疾病的交集靶点;通过STRING和Cytoscape软件创建PPI网络图;将疾病与中药活性成分的交集靶点导入至DAVID数据库进行GO和KEGG富集分析,以进一步探索潜在作用机制;使用AutoDock Vina软件进行分子对接,验证核心靶点与关键活性成分的结合能力以及稳定性。结果:获得麻黄附子细辛汤活性成分52种、活性成分靶点466个,疾病的相关靶点1399个,筛选药物与疾病的交集靶点217个;通过分析,确定麻黄附子细辛汤治疗老年支气管哮喘的关键活性成分为槲皮素、木犀草素、山柰酚等;核心靶点分别为肿瘤坏死因子、白细胞介素6、RAC-α丝氨酸/苏氨酸蛋白激酶等;KEGG富集分析主要涉及肿瘤坏死因子信号通路和PI3K/Akt等信号通路;分子对接结果显示核心靶点与关键活性成分结合活性良好。结论:基于网络药理学与分子对接得出麻黄附子细辛汤关键活性成分与肿瘤坏死因子、白细胞介素6等靶点相结合,并通过肿瘤坏死因子和PI3K/Akt等信号通路作用于老年支气管哮喘,为临床治疗及进一步研究提供理论依据。Objective:Using network pharmacology and molecular docking techniques,this study explores the core active components,key target genes,and potential mechanisms of action of Mahuang Fuzi Xixin Decoction in the treatment of elderly bronchial asthma.Methods:By retrieving and filtering through databases such as TCMSP,Swiss Targets Prediction,and UniProt,the active components and related targets of Mahuang Fuzi Xixin Decoction were identified.Using GeneCards,OMIM,and PharmGKB databases,relevant targets for elderly bronchial asthma were searched,and the intersection targets of the drug's active components with the disease were filtered out.A PPI network map was created using STRING and Cytoscape software.The intersection targets of the disease and the herbal active components were imported into the DAVID database for GO and KEGG enrichment analysis to further explore their potential mechanisms of action.Using AutoDock Vina software for molecular docking to verify the binding capacity and stability between the core targets and key active components.Results:The study identified 52 active components and 466 target points of these components in Mahuang Fuzi Xixin Decoction,along with 1399 related targets for the disease,narrowing down to 217 intersection targets between the drug and the disease.Through analysis,the core active components of Mahuang Fuzi Xixin Decoction in treating elderly bronchial asthma were identified as quercetin,luteolin,and sinapyl alcohol.The core targets include TNF,IL-6,and AKT1.KEGG analyses mainly involved the TNF and the PI3K/Akt signaling pathway.Molecular docking results showed good binding activity between the core targets and the core active components.Conclusion:Based on network pharmacology and molecular docking,it was concluded that the key active ingredients of Mahuang Fuzi Xixin Decoction combined with the targets of tumor necrosis factor and interleukin 6 and acted on elderly bronchial asthma through the signaling pathways such as tumor necrosis factor and PI3K/Akt,which provided a rel

关 键 词：麻黄附子细辛汤 老年支气管哮喘 网络药理学 分子对接 靶点 作用机制 

分 类 号：R256.1[医药卫生—中医内科学] R289[医药卫生—中医学]