摘要
目的基于网络药理学及分子对接探讨芪锦方抗肾间质纤维化的作用机制。方法通过TCMSP平台获得复方的化学成分和对应靶点,GeneCards、OMIM数据库获得疾病靶点;上述取交集获得芪锦方治疗肾间质纤维化交集靶点。通过Cytoscape 3.9.0软件建立“芪锦方-成分-交集靶点”网络,String平台建立交集靶点的蛋白互作网络。David平台进行GO功能和KEGG通路富集分析;使用AutoDock软件进行分子对接分析。结果获得芪锦方化学成分117个;疾病靶点1436个;交集靶点196个。筛选出槲皮素、山柰酚、谷甾醇、常春藤皂苷元、羟基芫花素、4,5-二羟基黄酮,异鼠李素、木犀草素等主要活性成分,AKT1、SRC、STAT3、PIK3CA、HSP90AA1五个潜在核心靶点。基于富集分析发现作用机制可能与HIF-1、PI3K-Akt、糖尿病并发症中的AGE-RAGE等信号通路有关;分子对接显示主要活性成分与潜在核心靶点具有良好的对接活性。结论芪锦方可能通过槲皮素、羟基芫花素、异鼠李素、常春藤皂苷元等作用于AKT1、SRC、STAT3、PIK3CA、HSP90AA1靶点调控HIF-1、PI3K-Akt、糖尿病并发症中的AGE-RAGE等信号通路发挥治疗肾间质纤维化的作用。
Objective To investigate the mechanism of anti-renal interstitial fibrosis of Qijin formula based on network pharmacology and molecular docking.Methods The chemical components and corresponding targets of the compound were obtained through the TCMSP platform,and the disease targets were obtained from the GeneCards and OMIM databases.The above intersection was obtained from Qijin Fang for the treatment of renal interstitial fibrosis intersection target.The network of"Qijin Fang-Component-Intersection Target"was established by Cytoscape 3.9.0 software,and the protein-protein interaction network of intersection targets was established by String platform.David platform for GO function and KEGG pathway enrichment analysis;Molecular docking analysis was performed using AutoDock software.Results A total of 117 chemical components of Qijin Fang were obtained.1436 disease targets;There were 196 intersecting targets.The main active ingredients such as quercetin,kaempferol,sitosterol,hederagenin,Hydroxygenkwanin,4,5-dihydroxybrass,isorhamnetin,luteolin were screened,and five potential core targets were screened,including AKT1,SRC,STAT3,PIK3CA and HSP90AA1.Based on enrichment analysis,it was found that the mechanism of action may be related to signaling pathways such as HIF-1,PI3K-Akt,and AGE-RACE in diabetic complications.Molecular docking showed that the main active ingredient had good docking activity with the potential core target.Conclusion Qijin Fang may play a role in the treatment of renal interstitial fibrosis through quercetin,Hydroxygenkwanin,isorhamnetin and hederagenin etc,which act on AKT1,SRC,STAT3,PIK3CA,HSP90AA1 targets to regulate HIF-1,PI3K-Akt,and AGE-RACE in diabetic complications.
作者
武婷
彭丹
田亚
陈泽新
张雄峰
WU Ting;PENG Dan;TIAN Ya;CHEN Zexin;ZHANG Xiongfeng(Guizhou University of Traditional Chinese Medicine,Guiyang 520025,China;The Second Affiliated Hospital of Guizhou University of Traditional Chinese Medicine,Guiyang 550000,China)
出处
《微量元素与健康研究》
2025年第3期19-27,共9页
Studies of Trace Elements and Health
基金
贵州省科技厅黔科合基础项目(ZK2022158)
贵州中医药大学研究生创新教育计划项目(YCXKYB2023024)。
关键词
芪锦方
肾间质纤维化
网络药理学
分子对接
Qijin Fang
renal interstitial fibrosis
network pharmacology
molecular docking
