基于网络药理学和分子对接技术探讨“射干-麻黄”药对治疗支气管哮喘的作用机制  

Exploration of the action mechanism of couplet medicines of Belamcandae Rhizoma-Ephedrae Herba in the treatment of bronchial asthma based on network pharmacology and molecular docking technology

作　　者：孙琪[1] 魏兵 SUN Qi;WEI Bing(First Clinical College of Liaoning University of traditional Chinese medicine,Shenyang 110847,China;不详)

机构地区：[1]辽宁中医药大学第一临床学院,沈阳110847 [2]北部战区总医院新生儿科,沈阳110016

出　　处：《中国处方药》2025年第4期1-6,共6页Journal of China Prescription Drug

摘　　要：目的运用网络药理学和分子对接技术探讨“射干-麻黄”药对治疗支气管哮喘的潜在作用机制。方法通过TCMSP、PubChem、SwissTargetPrediction数据库分别获取射干和麻黄的主要活性成分与作用靶点;利用Uniprot数据库将靶点标准化处理;检索GeneCards、OMIM、Disgent数据库得到支气管哮喘的疾病相关靶点,获取“射干-麻黄”药对与支气管哮喘的交集靶点。运用Cytoscape 3.8.1软件绘制“疾病-药物-活性成分-靶点”网络,并分析网络中的核心活性成分;将交集靶点导入STRING数据库进行蛋白质-蛋白质相互作用(PPI)网络分析,得到“射干-麻黄”药对治疗支气管哮喘的核心靶点。利用Metascape网络平台分别进行基因本体(GO)功能和京都基因和基因组百科全书(KEGG)通路富集分析,将分析结果绘制为柱状图和气泡图;最后运用AutoDock软件进行分子对接。结果筛选出“射干-麻黄”药对活性成分31种,作用靶点110个。支气管哮喘疾病靶点3631个,药对与支气管哮喘交集靶点83个,白细胞介素6(IL-6)、肿瘤坏死因子(TNF)、丝氨酸/苏氨酸蛋白激酶(AKT1)、肿瘤抑制蛋白(TP53)、雌激素受体1(ESR1)等为“射干-麻黄”药对治疗支气管哮喘的关键靶点。富集分析显示作用机制主要涉及脂质和动脉粥样硬化、细胞凋亡通路、白细胞介素17(IL-17)信号通路、TNF信号通路等通路。分子对接显示“射干-麻黄”药对活性成分与核心靶点具有良好的结合性。结论“射干-麻黄”药对可能通过多靶点、多成分、多途径对支气管哮喘发挥潜在治疗作用。Objective To explore the potential mechanism of couplet medicines of Belamcandae Rhizoma-Ephedrae Herba in the treatment of bronchial asthma using network pharmacology and molecular docking technology.Methods The main active ingredients and action target of Belamcandae Rhizoma and Ephedrae Herba were obtained from TCMSP,PubChem,and SwissTargetPrediction databases,respectively.The targets were standardized using the Uniprot database.The disease-related targets of bronchial asthma were obtained from GeneCards,OMIM and Disgent databases,and the intersection targets of the couplet medicines and bronchial asthma were obtained.A"disease-drug-active ingredient-target"network was constructed using Cytoscape 3.8.1 software,and the core active ingredients were analyzed.The intersection targets were imported into the STRING database for protein-protein interaction network analysis,and the core targets of couplet medicines for drug treatment of bronchial asthma were obtained.The gene ontology functional enrichment and KEGG pathway enrichment analyses were performed separately using the Metascape network platform,and the results were plotted as bar charts and bubble charts.Finally,molecular docking was performed using AutoDock software.Results A total of 31 active ingredients and 110 action targets were selected for couplet medicines of Belamcandae Rhizoma-Ephedrae Herba.There were 3631 disease targets for bronchial asthma,83 intersection targets between the couplet medicines and bronchial asthma,and IL-6,TNF,AKT1,TP53 and ESR1 were the key targets for the couplet medicines in the treatment of bronchial asthma.The enrichment analysis showed that the action mechanism was mainly related to lipid and atherosclerosis,apoptosis,the IL-17 signaling pathway,and the TNF signaling pathway.The molecular docking showed that the active ingredients of couplet medicines of Belamcandae Rhizoma-Ephedrae Herba have good binding to the core targets.Conclusion The couplet medicines of Belamcandae Rhizoma-Ephedrae Herba might potentially exert a

关 键 词：支气管哮喘 射干-麻黄 网络药理学 分子对接 作用机制 

分 类 号：R285[医药卫生—中药学]