| 摘要: |
| 目的：通过网络药理学及分子对接探讨温脾汤对慢性肾脏病和溃疡性结肠炎的作用机制。方法：运用TCMSP数据库检索温脾汤的活性成分，利用SwissTargetPrediction平台预测靶点，在GeneCards、DisGeNET数据库中获得两种疾病的靶点，将上述靶点导入微生信网站中利用Venny图取交集，获得药物和疾病的共同靶点；将交集靶点导入STRING数据库获取蛋白质-蛋白质相互作用（PPI）关系，导入Cytoscape 3.10.0，构建“药物-成分-疾病-靶点”网络，构建PPI网络进行分析；利用DAVID数据库对交集靶点进行基因本体（GO）功能和京都基因与基因组百科全书（KEGG）通路富集分析，并利用R语言将结果进行可视化分析；利用Autodock 4对核心靶点和关键成分进行分子对接。结果：温脾汤通过五味子酯乙鳞叶甘草素A、山柰酚等关键成分作用于白细胞介素-6（IL-6）、肿瘤坏死因子（TNF）、蛋白激酶B（AKT1）、肿瘤蛋白p53（TP53）、信号转导和转录激活因子（STAT3）等核心靶点，发挥抗炎、抗氧化应激、调节细胞凋亡等作用，涉及癌症通路、磷脂酰肌醇3-激酶/蛋白激酶B信号通路、晚期糖基化终末产物-糖基化终末受体信号通路等；分子对接结果表明关键成分和核心靶点具有良好的结合亲和力。结论：温脾汤通过多成分、多靶点、多途径治疗慢性肾脏病和溃疡性结肠炎。 |
| 关键词: 慢性肾脏病 溃疡性结肠炎 温脾汤 网络药理学 异病同治 分子对接 |
| DOI： |
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| Mechanism of action of Wenpi decoction in homotherapy for heteropathy in treatment of chronic kidney disease and ulcerative colitis：A study based on network pharmacology and molecular docking |
| WANG Rong,SHI Qinqin,ZHU Caifeng |
| (Hangzhou Hospital of Traditional Chinese Medicine，Zhejiang Chinese Medical University，Hangzhou 310007，Zhejiang，China;School of Basic Clinical Medicine，Zhejiang Chinese Medical University，Hangzhou 310053，Zhejiang，China) |
| Abstract: |
| Objective：To investigate the mechanism of action of Wenpi decoction in the treatment of chronic kidney disease and ulcerative colitis based on network pharmacology and molecular docking.Methods：TCMSP database was used to obtain the active components of Wenpi decoction，SwissTargetPrediction platform was used to predict related targets，and GeneCards and DisGeNET were used to obtain the targets of the two diseases.The above targets were imported into Weishengxin website to obtain the intersecting targets of the drug and the diseases based on Venny diagram.The intersecting targets were imported into STRING database to establish a protein-protein interaction network，which was imported into Cytoscape 3.10.0 to establish a drug-component-disease-target network.DAVID database was used to perform the gene ontology functional enrichment analysis and the Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis，R language was used for visual analysis，and Autodock 4 was used to perform molecular docking between core targets and key components.Results：Through the key components such as schisantherin B，glepidotin A，and kaempferol，Wenpi decoction exerted anti-inflammatory and anti-oxidative stress effects and regulated cell apoptosis via the core targets including interleukin-6，tumor necrosis factor，protein kinase-B，tumor protein p53，and signal transducer and activator of transcription 3.This process involved the signaling pathways such as the cancer pathway，the PI3K/Akt signaling pathway，and the AGE-RAGE signaling pathway.Molecular docking showed good binding affinity between key components and core targets.Conclusion：Wenpi decoction exerts a therapeutic effect on chronic kidney disease and ulcerative colitis through multiple components，targets，and pathways. |
| Key words: chronic kidney disease ulcerative colitis Wenpi decoction network pharmacology homotherapy for heteropathy molecular docking |
