摘要
目的:采用网络药理学、基因芯片分子对接方法探讨栀子川芎胶囊防治动脉粥样硬化(AS)的作用机制。方法:利用14个数据库和基因芯片等预测栀子川芎胶囊防治AS的靶点,构建成分-治疗靶点(C-T)网络、治疗靶点网络(T-D),并计算网络贡献指数、度值、中介中心性、接近中心性和平均最短路径筛选C-T和T-D网络主要核心成分和靶点。对治疗靶点进行富集分析,最后对核心成分和核心靶点做分子对接验证。结果:预测得到治疗靶点162个,根据网络贡献指数、度值、中介中心性、接近中心性和平均最短路径筛选C-T和T-D网络得到叶酸和槲皮素2个核心成分、13个核心靶点。富集分析显示栀子川芎胶囊从炎症反应、氧化应激、脂质和营养物质代谢等多方面防治AS,并且治疗靶点富集于全身多个组织器官。分子对接验证结果表明核心成分与核心靶点间具有较强的结合力。结论:栀子川芎胶囊防治AS具有多成分、多靶点的特点,可以从多层次、多角度防治AS。
Objective:To study the mechanism of Zhizi Chuanxiong Capsules in preventing and treating atherosclerosis(AS)using network pharmacology and gene chip molecular docking methods.Methods:A total of 14 databases and gene chips were used to predict the targets of Zhizi Chuanxiong Capsules for the prevention and treatment of AS.Then the composition-therapeutic target(C-T)and therapeutic target network(T-D)were constructed.The network contribution index,degree,betweenness,closeness,and average shortest path were calculated to screen the main core components and targets.Enrichment analysis was performed on therapeutic targets,and finally,molecular docking verification was performed on core components and core targets.Results:A total of 162 therapeutic targets were predicted,and the two core components of folic acid(FA)and quercetin and 13 core targets were obtained by screening the C-T and T-D networks according to the network contribution index,degree,betweenness,closeness,and average shortest path.Enrichment analysis showed that Zhizi Chuanxiong Capsules for preventing and treating AS by multiple aspects,such as inflammatory response,oxidative stress,lipid and nutrient metabolism,and the therapeutic targets were enriched in multiple tissues and organs throughout the body.Molecular docking results showed there was a strong binding force between the core components and the core target.Conclusion:The prevention and treatment of AS with Zhizi Chuanxiong Capsules showed the characteristics of components and multi-targets,by multi-level and multi-sngle.
作者
吴立旗
盛松
周庆兵
徐凤芹
WU Liqi;SHENG Song;ZHOU Qingbing;XU Fengqin(Xiyuan Hospital,China Academy of Chinese Medical Sciences,Beijing 100093,China)
出处
《中西医结合心脑血管病杂志》
2023年第14期2513-2522,共10页
Chinese Journal of Integrative Medicine on Cardio-Cerebrovascular Disease
基金
国家自然科学基金面上项目(No.81973679)。
关键词
动脉粥样硬化
栀子川芎胶囊
网络药理学
基因芯片
分子对接
靶点
富集分析
atherosclerosis
Zhizi Chuanxiong Capsule
network pharmacology
gene chip
molecular docking
target
enrichment analysis
