基于网络药理学探讨祛积通络方治疗视网膜静脉阻塞的作用机制  

Exploring the Mechanism of Quji Tongluo Decoction in Treating Retinal Vein Occlusion Based on Network Pharmacology

作　　者：王诗惠[1] 郝晓凤[1] 谢立科[1] 陈子扬 WANG Shi-hui;HAO Xiao-feng;XIE Li-ke;CHEN Zi-yang(Ophthalmology Hospital,China Academy of Chinese Medical Sciences,Beijing 100040)

机构地区：[1]中国中医科学院眼科医院,北京100040

出　　处：《世界中西医结合杂志》2021年第12期2157-2163,2167,共8页World Journal of Integrated Traditional and Western Medicine

基　　金：国家自然科学基金青年基金项目(81603666);中国中医科学院中央级公益性科研院所基本科研业务费课题(ZZ15-XY-PT-09);北京市自然科学基金项目(7192235);首都临床特色应用研究重点研发项目(Z181100001718183)。

摘　　要：目的通过网络药理学及分子对接技术探究祛积通络方治疗视网膜静脉阻塞(Retinal vein occlusion,RVO)有效成分和潜在分子机制。方法使用TCMSP平台、TCMID数据库并结合《中国药典》收集祛积通络方相关药理作用的成分作为潜在活性成分和潜在靶点,利用pubchem、Swiss Target Prediction等多个数据库筛选RVO疾病靶点,然后将疾病靶点与药物预测靶点取交集,借助Cytoscape 3.7.2软件构建交集靶点网络以及蛋白质-蛋白质相互作用网络,利用R 3.6.0软件进行GO和KEGG富集分析,最后将药物活性成分与疾病靶点进行分子对接。结果祛积通络方中135个有效活性成分可通过156个潜在靶标治疗RVO,涉及HIF-1信号通路、MAPK信号通路等相关信号通路。PTGS2与汉黄芩素、ESR1与柚皮素、MMP3与黄芩素对接提示具有良好的结合活性。结论初步揭示祛积通络方治疗RVO多靶点、多通路的潜在作用机制,为后续研究提供思路。Objective To explore the effective ingredients and potential molecular mechanisms of Quji Tongluo Decoctionin the treatment of Retinal Vein Occlusion(RVO)through network pharmacology and molecular docking technology.Methods The TCMSP platform,TCMID database and combining with the Chinese Pharmacopoeia were used to collect the relevant pharmacological components of Quji Tongluo Decoctionas potential active ingredients and potential targets,using multiple databases such as pubchem and Swiss Target Prediction to screen RVO disease targets.Then the intersection of disease targets and drug prediction targets were taken using Cytoscape 3.7.2 software to construct the intersection target network and protein-protein interaction network.R3.6.0 software was used for GO and KEGG enrichment analysis.Finally,the active ingredient of the drug was molecularly docked with the disease target.Results The 135 active ingredients in Quji Tongluo Decoction can treat RVO through 156 potential targets,involving the HIF-1 signal pathway,MAPK signal pathway and other related signal pathways.The docking of PTGS2 with wogonin,ESR1 with naringenin,and MMP3 with baicalein suggests that they had good binding activity.Conclusion Preliminary reveals the potential mechanism of Quji Tongluo Decoction in the treatment of RVO with multiple targets and multiple pathways,providing ideas for follow-up research.

关 键 词：视网膜静脉阻塞 祛积通络方 网络药理学 分子对接 

分 类 号：R285.6[医药卫生—中药学]