黄芪-白茅根治疗慢性肾小球肾炎作用机制的可视化分析

Visual analysis of the mechanism of Astragali Radix-Imperatae Rhizomain in the treatment of chronic glomerulonephritis

运用数据库及可视化软件分析黄芪-白茅根治疗慢性肾小球肾炎(chronic glomerulonephritis,CGN)的有效活性成分并探讨其潜在作用机制。通过中药系统药理学数据库与分析平台及BATMAN-TCM数据库收集黄芪-白茅根活性成分,SwissTargetPrediction和Uniprot数据库进行靶点标准化处理;通过GeneCards、OMIM、DisGeNET、Drugbank、DiGSeE数据库筛选CGN相关靶点;应用Cytoscape软件构建相关网络图;利用Omicshare平台进行基因本体(gene ontology,GO)和京都基因与基因组百科全书(Kyoto encyclopedia of genes and genomes,KEGG)分析;采用AutoDock Vina及LigPlot进行核心成分与核心靶点的对接。黄芪-白茅根中共筛选出27个活性成分和271个活性成分靶点。对143个药物和疾病的交集靶点进行分析,获得7084个GO相关过程,230个KEGG信号通路,其中差异的有4663个GO相关过程,159个KEGG信号通路。分子对接发现本研究筛选的核心成分与靶点拥有较好的结合能。研究表明黄芪-白茅根是通过多成分、多靶点、多通路的作用方式发挥治疗CGN的作用,为CGN的治疗提供了重要的科学依据。

Database and visualization software were employed to analyze the active ingredients of Astragali Radix-Imperatae Rhizomain in the treatment of chronic glomerulonephritis(CGN)and explore the potential underlying mechanism.The active ingredients of Astragali Radix-Imperatae Rhizomain were collected using Traditional Chinese Medicine system pharmacology databases and analysis platforms and BATMAN-TCM databases,and the target information was standardized using SwissTargetPrediction and Uniprot databases.CGN-related targets were screened using the GeneCards,OMIM,DisGeNET,Drugbank,and DiGSeE databases.Relevant network diagrams were constructed using Cytoscape software.Gene ontology(GO)and Kyoto encyclopedia of genes and genomes(KEGG)analyses were performed using the Omicshare platform.AutoDock Vina and LigPlot were used for molecular docking of the core components to the core targets.A total of 27 active ingredients and 271 active ingredient targets were screened from Astragali Radix-Imperatae Rhizomain.The analysis of 143 drug and disease intersection targets yielded 7084 GO-related processes and 230 KEGG signaling pathways,of which 4663 GO-related processes and 159 KEGG signaling pathways were differentially identified.Further validation by molecular docking revealed that the core components were able to bind better to the core targets.Astragali Radix-Imperatae Rhizomain were found to exert their effect on the treatment of CGN through a multi-ingredient,multi-target,and multi-pathway mode of action,providing important scientific information for the treatment of CGN.