基于体外试验与网络药理学和分子对接技术探讨金水宝胶囊治疗糖尿病肾病的作用机制  

Mechanism of Jinshuibao capsule in treating diabetic nephropathy based on in vitro experiment,network pharmacology and molecular docking technology

作　　者：刘瑶 阳忠 张波 黄灏 万丽 Liu Yao;Yang Zhong;Zhang Bo;Huang Hao;Wan Li(General Hospital of Jiangxi Pingxiang Mining Group Co.,Ltd,Pingxiang,Jiangxi 337042,China)

机构地区：[1]萍乡矿业集团有限责任公司总医院,江西萍乡337042

出　　处：《齐齐哈尔医学院学报》2024年第11期1018-1024,共7页Journal of Qiqihar Medical University

基　　金：江西省中医药管理局科技计划项目(2022B168)。

摘　　要：目的本研究以网络药理学与分子对接技术初步推测用于补益肺肾的金水宝胶囊对糖尿病肾病治疗的关键靶点及其药理作用机制,并通过体外实验验证部分关键靶点及其通路。方法本研究通过数据库预测其活性成分和相关靶点,对收集的成分和靶点进行标准化,然后绘制韦恩图。运用STRING数据库绘制PPI网络图,使用Cytoscape 3.9.1软件建立成分-靶点和PPI网络关系图,并进行GO和KEGG通路富集分析。通过AutoDockTool软件进行分子对接。然后通过体外细胞实验观察了金水宝胶囊含药血清对糖基化终产物修饰的牛血清白蛋白诱导的人肾小管上皮细胞凋亡的影响。结果获得金水宝胶囊有效活性成分15个,靶点为543个,关键靶点为GAPDH和TNF,富集程度较高的为cAMP信号通路和AGE-RAGE信号通路等。分子对接显示主要活性成分腺苷、鸟苷和啤酒甾醇与主要靶点GAPDH和TNF结合能良好。体外实验表明与空白组比较,10%金水宝胶囊含药血清组可显著升高AGE-BSA组HK-2细胞的活力。结论本研究探讨了金水宝胶囊治疗糖尿病肾病的药理机制,可能与其有效成分通过作用于GAPDH和TNF等靶点,调控AGE-RAGE信号通路来改善糖尿病肾病,本研究初步预测金水宝胶囊治疗糖尿病肾病的相关活性成分与靶点,旨在探讨其药理及作用机制,为后续研究提供了科学依据,为金水宝胶囊治疗糖尿病肾病提供了可靠的数据支撑。Objective To explore the key targets and pharmacological mechanisms of Jinshuibao capsule in the treatment of diabetic nephropathy based on network pharmacology and molecular docking technology,and to verify some key targets and their pathways through in vitro experiments.Methods In this study,the active ingredients and related targets were predicted by database,the collected ingredients and targets were standardized,and then Venn diagram was drawn.The STRING database was used to draw the PPI network,Cytoscape 3.9.1 software was used to establish the components-target and PPI network diagram,and GO and KEGG pathway enrichment analysis was performed.Molecular docking was performed by AutoDockTool software.Then,the effect of Jinshuibao capsule on the apoptosis of human renal tubular epithelial cells induced by bovine serum albumin modified with advanced glycation end products was observed by in vitro cell experiments.Results Fifteen active ingredients and 543 targets of Jinshuibao capsule were obtained.The key targets were GAPDH and TNF,and the cAMP signaling pathway and AGE-RAGE signaling pathway were highly enriched.Molecular docking showed that the main active components adenosine,guanosine and beer sterol bind well to the main targets GAPDH and TNF.In vitro experiments showed that 10%serum containing Jinshuibao capsule could significantly increase the viability of HK-2 cells in AGE-BSA group compared with blank group.Conclusions This study explores the pharmacological mechanism of Jinshuibao capsule in the treatment of diabetic nephropathy,and its active components may improve diabetic nephropathy by acting on GAPDH and TNF and other targets to regulate AGE-RAGE signaling pathway.This study preliminarily predicts the relevant active components and targets of Jinshuibao capsule in the treatment of diabetic nephropathy,so as to explore its pharmacological mechanism and action mechanism.This study provides a scientific basis for follow-up research and reliable data support for Jinshuibao capsule in the treatment o

关 键 词：金水宝胶囊 糖尿病肾病 网络药理学 分子对接 

分 类 号：R587[医药卫生—内分泌]