摘要
目的:基于网络药理学与分子对接方法,系统挖掘淫羊藿治疗哮喘的关键靶标及作用机制。方法:利用多种数据库寻找淫羊藿的活性成分与作用靶标,建立预测模型并利用分子对接技术对靶标进行筛选与验证;查找疾病数据库得到哮喘相关靶标;构建靶标互作网络筛选关键靶标;利用数据库进行GO功能富集分析与KEGG通路富集分析;构建生物网络并进行拓扑分析。结果:通过筛选得到白细胞介素(Interleukin,IL)-6、肿瘤坏死因子(Tumor Necrosis Factor,TNF)、血管内皮生长因子A(Vascular Endothelial Growth Factor A,VEGFA)等10个关键靶标,富集的通路有IL-17信号通路、TNF信号通路、缺氧诱导因子(Hypoxia-inducible Factor,HIF)-1信号通路等66条,功能信息共得到446条,包括参与炎症反应、调控细胞增殖与细胞凋亡等。结论:淫羊藿中的活性成分靶标及作用通路在对抗炎症反应、逆转气道重塑方面均表现出显著富集,与治疗哮喘的作用机制相符合,在哮喘防治方面具有广阔的发展前景。
Objective:To explore the key targets and the mechanism of Epimedii Folium for the treatment of asthma based on the method of the network pharmacology and molecular docking.Methods:A variety of database was used to find the active ingredients and the targets of Epimedii Folium;a prediction model was established and molecular docking technology was used to screen and verify the targets;disease database was searched to obtain asthma-related targets;a protein-protein interaction network was built to screen key targets;the database was used to conduct GO functions enrichment analysis and KEGG pathway enrichment analysis;the biological network for topology analysis was constructed.Results:Through screening,10 key targets,such as IL-6,TNF,and VEGFA,were obtained.A total of 66 pathways were enriched,including IL-17 signaling pathway,TNF signaling pathway,and HIF-1 signaling pathway and 446 functional information was obtained,including participating in inflammation response,regulating cell proliferation and apoptosis.Conclusion:The active component targets and action pathways in Epimedii Folium show significant enrichment in fighting inflammation and reversing airway remodeling,which are consistent with the mechanism of action for the treatment of asthma,and have broad development prospects in the prevention and treatment of asthma.
作者
王瀚
马紫童
唐秀凤
高莹莹
杨丽平
刘仁慧
WANG Han;MA Zitong;TANG Xiufeng;GAO Yingying;YANG Liping;LIU Renhui(School of Traditional Chinese Medicine,Capital Medical University,Beijing 100069,China;Wangjing Hospital,China Academy of Chinese Medical Sciences,Beijing 100102,China)
出处
《世界中医药》
CAS
2021年第5期742-750,共9页
World Chinese Medicine
基金
国家自然科学基金面上项目(81873115)
国家中医药管理局全国名老中医药专家传承工作室建设项目(国中医药人教函〔2018〕134号)。
关键词
网络药理学
分子对接
淫羊藿
哮喘
关键靶标
信号通路
炎症反应
气道重塑
Network pharmacology
Molecular docking
Epimedii Folium
Asthma
Key targets
Signaling pathway
Inflammation
Airway remodeling
