摘要
目的:采用网络药理学和分子对接技术探讨杜仲-续断治疗复发性流产(RSA)的作用机制。方法:利用中药系统药理学数据库(TCMSP)检索杜仲-续断的活性成分和基因靶点。在GeneCards、OMIM和PharmGkb数据库收集RSA疾病靶点,在Cytoscape 3.7.2软件中构建活性成分-靶点网络,基于STRING数据构建杜仲-续断治疗RSA靶点高置信度互作网络,根据拓扑分析参数筛选杜仲-续断治疗RSA的核心靶点。使用AutoDock Vina软件对关键药物成分与核心靶点进行分子对接。对疾病与药物交集靶点进行GO生物学过程富集分析和KEGG通路注释分析。结果:通过筛选获得杜仲-续断治疗RSA有效活性成分26种,预测靶点119个,涉及11个核心靶点。GO富集分析显示杜仲-续断主要参与对脂多糖反应、细胞氧化应激、类固醇激素调节等生物过程,KEGG富集分析结果显示杜仲-续断药对与磷脂酰肌醇-3-激酶(PI3K)/丝氨酸/苏氨酸蛋白激酶(Akt/PKB)、肿瘤坏死因子(TNF)信号通路、血管内皮生长因子(VEGF)信号通路等关系密切。结论:杜仲-续断治疗RSA的作用机制涉及多成分、多靶点和多通路,为进一步探究其药理作用及临床治疗提供理论基础。
Objective:To investigate the mechanism of action of Eucommia ulmoides-teasel root in the treatment of recurrent spontaneous abortion(RSA)based on network pharmacology and molecular docking.Methods:TCMSP database was used to obtain the active components and gene targets of Eucommia ulmoides-teasel root.GeneCards,OMIM,and PharmGkb databases were used to obtain the disease targets of RSA,and Cytoscape 3.7.2 software was used to construct an active component-target network.STRING database was used to construct a high-confidence protein-protein interaction network,and the core targets of Eucommia ulmoides-teasel root in the treatment of RSA were screened out based on the parameters for topological analysis.AutoDock Vina software was used for molecular docking of key drug components and core targets.GO enrichment analysis and KEGG pathway annotation analysis were performed for the intersecting targets of disease and drug.Results:A total of 26 active components and 119 predictive targets were screened out for Eucommia ulmoides-teasel root in the treatment of RSA,which involved 11 core targets.GO enrichment analysis showed that Eucommia ulmoides-teasel root mainly participated in the biological processes such as lipopolysaccharide reaction,cell oxidative stress,and steroid hormone regulation,and KEGG enrichment analysis showed that the drug combination of Eucommia ulmoides-teasel root was closely associated with the signaling pathways including PI3 K-Akt/PKB,tumor necrosis factor,and vascular endothelial growth factor.Conclusion:Multiple components,targets,and pathways are involved in the treatment of RSA by Eucommia ulmoides-teasel root,which provides a theoretical basis for further exploration of its pharmacological action and clinical treatment.
作者
杨琴
李敏艳
刘文娥
YANG Qin;LI Minyan;LIU Wene(Hunan University of Chinese Medicine,Changsha 410208,Hunan,China;The First Affiliated Hospital of Hunan University of Chinese Medicine,Changsha 410007,Hunan,China)
出处
《湖南中医杂志》
2022年第3期157-164,共8页
Hunan Journal of Traditional Chinese Medicine
关键词
复发性流产
杜仲
续断
网络药理学
分子对接
作用机制
recurrent spontaneous abortion
Eucommia ulmoides
teasel root
network pharmacology
molecular docking
mechanism of action
