首页|基于网络药理学和分子对接探究健脾益肾方治疗糖尿病肾病的作用机制

基于网络药理学和分子对接探究健脾益肾方治疗糖尿病肾病的作用机制

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目的 采用网络药理学方法和分子对接技术探讨健脾益肾方治疗糖尿病肾病(DN)的分子机制。方法 检索TCMSP获取健脾益肾方组方药物的活性成分及靶点;检索GeneCards、OMIM、DrugBank、TTD、DisGeNET数据库获取DN相关靶点,利用Venny2。1获取药物与疾病靶点的交集靶点;利用Bisogenet构建蛋白质-蛋白质相互作用网络,并提取交集网络获得健脾益肾方治疗DN的关键靶点;利用Metascape数据库对交集靶点进行GO功能和KEGG通路富集分析,利用Cytoscape3。9。1软件构建"活性成分-靶点-信号通路"网络,挖掘健脾益肾方治疗DN的主要活性成分与核心靶点。运用AutoDock Vina进行分子对接。结果 获得健脾益肾方组方药物活性成分197个,对应靶点363个,DN相关靶点1 347个。健脾益肾方治疗DN的核心靶点包括TUBB、HNRNPK、NCL、PABPC1、DHX9等。GO功能富集结果显示,生物过程主要涉及对激素的反应、细胞迁移的正调控等;细胞组分主要影响膜筏、囊泡腔、内质网腔、细胞外基质等;分子功能包括蛋白激酶结合、RNA聚合酶Ⅱ特异性DNA结合转录因子结合、信号受体激活剂活性等多种蛋白、酶、脂结合。KEGG通路富集分析获得211条通路,主要涉及癌症通路、糖尿病并发症中的AGE-RAGE信号通路、癌症中的蛋白聚糖、活性氧化物通路和HIF-1信号通路等。结论 健脾益肾方可通过TUBB、HNRNPK、NCL、PABPC1、DHX9等多靶点,作用于癌症通路、糖尿病并发症中的AGE-RAGE等信号通路,发挥抗炎、抗氧化,调节代谢紊乱,调控细胞凋亡及自噬作用。
Exploration on the Mechanism of Jianpi Yishen Decoction in the Treatment of Diabetic Nephropathy Based on Network Pharmacology and Molecular Docking
Objective To explore the molecular mechanism of Jianpi Yishen Decoction in the treatment of diabetic nephropathy(DN)through network pharmacology and molecular docking.Methods The main active components and targets of Jianpi Yishen Decoction were obtained by searching TCMSP.GeneCards,OMIM,DrugBank,TTD and DisGeNET databases were searched to obtain DN-related targets,and Venny 2.1 was used to obtain the intersection targets of drugs and disease targets.The protein-protein interaction network was constructed by BisoGenet,and the intersection network was extracted to obtain the key target of Jianpi Yishen Decoction in the treatment of DN.Metascape database was used to analyze the GO function and KEGG pathway enrichment of the intersection targets.Cytoscape 3.9.1 software was used to construct the"active component-target-signaling pathway"network,and the main active components and core targets of Jianpi Yishen Decoction in the treatment of DN were explored.AutoDock Vina was used for molecular docking.Results A total of 197 active components,363 corresponding targets and 1 347 DN-related targets were obtained.The core targets of Jianpi Yishen Decoction in the treatment of DN included TUBB,HNRNPK,NCL,PABPC1,DHX9 and so on.GO functional enrichment results showed that biological processes were mainly involved in the response to hormones and the positive regulation of cell migration.Cell components mainly affected membrane raft,vesicle cavity,endoplasmic reticulum cavity,extracellular matrix,etc.Molecular functions included protein kinase binding,RNA polymerase Ⅱ specific DNA binding transcription factor binding,signal receptor activator activity and other protein,enzyme and lipid binding.KEGG pathway enrichment analysis obtained 211 pathways,mainly involving pathways in cancer,AGE-RAGE signaling pathways in diabetic complication,proteoglycans in cancer,chemical carcinogenesis-reactive oxygen species,and HIF-1 signaling pathways.Conclusion Jianpi Yishen Decoction can act on signaling pathways such as pathways in cancer,AGE-RAGE signaling pathways in diabetic complication through multiple targets such as TUBB,HNRNPK,NCL,PABPC1,DHX9,and exert anti-inflammatory and antioxidant effects,regulate metabolic disorders,regulate cell apoptosis and autophagy,and play a therapeutic role in DN.

Jianpi Yishen Decoctiondiabetic nephropathynetwork pharmacologymolecular docking

刘哲延、祁爱蓉

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广州中医药大学第四临床医学院,广东 深圳 518000

深圳市中医院,广东 深圳 518033

健脾益肾方 糖尿病肾病 网络药理学 分子对接

深圳市科技计划(多方合作项目)

KCXFZ20201221173612034

2024

中国中医药图书情报杂志
中国中医科学院中医药信息研究所

中国中医药图书情报杂志

影响因子:0.556
ISSN:2095-5707
年,卷(期):2024.48(1)
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