摘要
目的:基于网络药理学方法探讨薤白治疗心肌缺血再灌注损伤的作用机制。方法:在中药系统药理学分析平台(TCMSP)上检索和筛选薤白的活性成分、作用靶点;利用OMIM数据库和CTD数据库搜集疾病靶点;找出薤白作用靶点和疾病靶点共有交集靶点,分子对接软件SYBYL验证薤白活性成分与交集靶点结合活性。然后利用String数据库和Cytoscape软件绘制靶点蛋白互作网络,利用DAVID数据库对靶点进行信号通路富集分析,利用Cytoscape软件构建薤白活性成分-靶点-信号通路网络。结果:筛选获得薤白活性成分10个,治疗疾病作用靶点19个。蛋白互作分析结果显示,17个靶点蛋白存在相互作用关系,IL6、TNF、NOS3、CCL2、VEGFA、SOD1、CAT与10个及以上蛋白存在互作关系。信号通路富集结果显示,上述靶点主要与流体剪切应力与动脉粥样硬化、过氧化物酶体、HIF-1信号通路、松弛素信号通路、细胞因子-细胞因子-受体相互作用、IL-17信号通路以及肿瘤坏死因子信号通路等23条信号通路有关。结论:薤白通过多成分、多靶点、多途径治疗心肌缺血再灌注损伤,其作用机制主要通过调控流体剪切应力、氧化应激及炎性反应来发挥作用。
OBJECTIVE To explore the mechanism of Allium macrostemon Bunge in treating myocardial ischemia-reperfusion injury based on network pharmacology.METHODS The active components and targets of Allium macrostemon Bunge were searched and screened on the pharmacology analysis platform of traditional Chinese medicine system(TCMSP),the disease targets were collected by OMIM database and CTD database,the common intersection targets of Allium macrostemon Bunge and disease targets were identified,and the binding activity of Allium macrostemon Bunge active components and intersection targets was verified by molecular docking software SYBYL.Then the target protein interaction network was drawn using String database and Cytoscape software,the target was analyzed for signaling pathway enrichment using DAVID database,and the active component-target-signaling pathway network of Allium macrostemon was constructed using Cytoscape software.RESULTS 10 active components and 19 targets were obtained.Protein interaction analysis showed that 17 target proteins had interaction relationship,and IL6,TNF,NOS3,CCL2,VEGFA,SOD1,CAT had interaction relationship with 10 or more proteins.The enrichment results of signaling pathways showed that the above targets were mainly related to 23 signaling pathways such as fluid shear stress and atherosclerosis,peroxisomes,HIF-1 signaling pathway,relaxin signaling pathway,cytokine-cytokine-receptor interaction,IL-17 signaling pathway,and tumor necrosis factor signaling pathway.CONCLUSION Allium macrostemon Bunge treats myocardial ischemia-reperfusion injury based on multiple components,multiple targets and multiple approaches.The therapeutic mechanism of Allium macrostemon Bunge on myocardial ischemia-reperfusion injury is mainly through regulating fluid shear stress,oxidative stress and inflammatory reaction.
作者
李尧锋
杨欣
朱璨
刘杨
杨长福
李军
陈向云
LI Yao-feng;YANG Xin;ZHU Can;LIU Yang;YANG Chang-fu;Li Jun;CHEN Xiang-yun(School of Basic Medicine,Guizhou University of Traditional Chinese Medicine,Guizhou Guiyang 550025,China;Laboratory Center,Guizhou University of Traditional Chinese Medicine,Guizhou Guiyang 550025,China)
出处
《中国医院药学杂志》
CAS
北大核心
2020年第8期885-891,共7页
Chinese Journal of Hospital Pharmacy
基金
国家自然科学基金地区科学基金项目(编号:81860873)
贵州省科技厅科技计划项目(黔科合基础[2016]1401和黔科合LH字[2016]7120号)
贵州省教育厅青年科技人才成长项目(黔教合KY字[2016]186)
贵阳中医学院2017年度学术新苗培养及创新探索专项项目(黔科合平台人才[2017]5735号-06)。
关键词
薤白
心肌缺血再灌注损伤
网络药理学
分子对接
信号通路
Allium macrostemon Bunge
myocardial ischemia-reperfusion injury
network pharmacology
molecular docking
signal pathway
