基于网络药理学和分子对接探讨苏叶黄连枳实治疗慢性肾功能衰竭的作用机制  

A study on the mechanism of Suye Huanglian and Zhishi on chronic renal failure based on network pharmacology and molecular docking

作　　者：李小娟 肖振卫[2] LI Xiaojuan

机构地区：[1]山东中医药大学,山东济南250000 [2]山东中医药大学附属医院,山东济南250000

出　　处：《中医临床研究》2022年第20期1-5,共5页Clinical Journal Of Chinese Medicine

基　　金：山东中医药大学专业学位研究生教学案例库建设项目(XJAL2021002),项目名称:肾脏疾病教学案例库的构建与应用研究,项目来源:山东中医药大学,计划名称:山东中医药大学研究生教育质量提升计划学校课题,项目公示网址:https://yjs.sdutcm.edu.cn/info/1061/4298.htm。

摘　　要：目的:运用网络药理学和分子对接探讨苏叶黄连枳实治疗慢性肾功能衰竭(Chronic Renal Failure,CRF)的作用机制。方法:检索中药系统药理学数据库与分析平台(TCMSP)数据库筛选药物有效成分,利用Swiss Target Prediction预测其潜在靶点。利用Gene Cards、OMIM及Drugbank检索CRF靶点,通过Venny获取药物有效成分作用靶点与疾病基因靶点的交集。利用STRING构建蛋白质-蛋白质相互作用网络,利用Metascape进行基因本体论(GO)和京都基因与基因组百科全书(KEGG)通路富集分析,利用Autodock对有效成分与关键靶点行分子对接。结果:苏叶黄连枳实治疗CRF的核心有效成分为槲皮素、木犀草素等,核心靶点为白细胞介素(Interleukin,IL)-6、肿瘤坏死因子(Tumor Necrosis Factor,TNF)、IL-1β等。共得到1288个GO富集结果,232条KEGG通路,通路涉及糖尿病并发症中的晚期糖基化终末产物-糖基化终末产物受体信号通路、癌症通路等。分子对接结果显示有效成分与关键靶点的结合能均<0。结论:苏叶黄连枳实通过多成分、多靶点、多信号通路实现对CRF的治疗作用。Objective:To explore the mechanism of Suye(Folium Perillae)Huanglian(Rhizoma Coptidis)and Zhishi(Fructus Aurantii Immaturus)in the treatment of chronic renal failure(CRF)by network pharmacology and molecular connection.Methods:Active pharmaceutical ingredients were screened by searching the TCMSP database,and potential targets were predicted by Swiss Target Prediction.CRF targets were required by GeneCards,OMIM and Drugbank databases.The intersection of drug active ingredient targets and disease gene targets was obtained by Venny.Gene ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of genes and genomes(KEGG)pathways enrichment analysis were performed for potential targets by Metascape.Molecular docking between active components and key targets was performed by Autodock.Results:The core effective components of Suye Huanglian and Zhishi in the treatment of CRF were quercetin and luteolin,etc..A total of 1288 GO enrichment results and 232 KEGG pathways were obtained involving AGE-RAGE signaling pathways in diabetic complications,cancer pathways,etc..The results of molecular docking showed that the binding energy of the active components and key targets were all less than 0.Conclusion:Suye Huanglian and Zhishi has therapeutic effect on CRF through multi-component,multi-target and multi signal pathway.

关 键 词：网络药理学 黄连 苏叶 枳实 慢性肾功能衰竭 

分 类 号：R692.5[医药卫生—泌尿科学]