基于网络药理学和分子对接技术分析茯苓桂枝甘草大枣汤异病同治焦虑症、心律失常、肠易激综合征的作用机制
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R285

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安徽中医药大学人才支持项目(2022rcyb012);安徽中医药大学名师工作室项目(2024zyjx08);安徽中医药大学教师教学团队项目(2024zyjx05)


Analysis of the Mechanism of Fuling Guizhi Gancao Dazao Decoction in the Treatment of Different Diseases with the Same Method for Anxiety Disorders,Arrhythmias,and Irritable Bowel Syndrome Based on Network Pharmacology and Molecular Docking Technology
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    摘要:

    目的:基于网络药理学和分子对接技术分析茯苓桂枝甘草大枣汤异病同治焦虑症、心律失常、肠 易激综合征的潜在靶点和作用机制。方法:通过中药系统药理学数据和分析平台(TCMSP) 筛选方剂中茯苓、 桂枝、甘草、大枣的活性成分,利用SwissTargetPrediction预测靶点;从GeneCards、OMIM数据库获取焦虑症、 心律失常、肠易激综合征的相关靶点,通过韦恩图筛选潜在治疗靶点;构建蛋白质相互作用(PPI) 网络并筛 选核心靶点,利用DAVID数据库进行基因本体(GO) 功能及京都基因与基因组百科全书(KEGG) 通路富集 分析;最后对核心成分与关键靶点进行分子对接验证。结果:共筛选出茯苓桂枝甘草大枣汤活性成分146个, 预测靶点257个;获得3种疾病的相关靶点分别为2 929个、649个、2 973个,药物治疗疾病的潜在靶点43个。 PPI网络分析显示白细胞介素(IL) -6、蛋白激酶B1(AKT1)、肿瘤坏死因子(TNF) 等为核心靶点;筛选出 主要活性成分为槲皮素、柚皮素、山柰酚、甘草查尔酮A、β-胡萝卜素。GO分析涉及基因表达调控、细胞对 活性氧的反应等,KEGG 通路富集分析主要包括糖尿病并发症中的晚期糖基化终末产物及其受体(AGERAGE) 信号通路、IL-17信号通路等。分子对接结果显示,槲皮素与TNF、柚皮素与AKT1等主要活性成分与 核心靶点均具有良好的结合活性。结论:茯苓桂枝甘草大枣汤可能通过槲皮素、柚皮素等主要活性成分,作用 于IL-6、AKT1、TNF等核心靶点,调控AGE-RAGE、IL-17等信号通路,异病同治焦虑症、心律失常、肠易 激综合征。

    Abstract:

    Abstract: Objective: To analyze the potential targets and mechanism of action of Fuling Guizhi Gancao Dazao Decoction in the treatment of different diseases with the same method for anxiety disorders,arrhythmias,and irritable bowel syndrome based on network pharmacology and molecular docking techniques. Methods: Active ingredients of Poria, Cinnamomi Ramulus, Glycyrrhizae Radix et Rhizoma, and Jujubae Fructus in the decoction were screened using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP),and targets were predicted using SwissTargetPrediction. Targets related to anxiety disorders, arrhythmias, and irritable bowel syndrome were obtained from the Human Gene Database (GeneCards) and Online Mendelian Inheritance in Man (OMIM) databases. Common targets were identified using a Venn diagram. A protein-protein interaction (PPI) network was constructed, and core targets were screened. Gene Ontology (GO) function and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were performed using the Database for Annotation, Visualization,and Integrated Discovery (DAVID). Finally,molecular docking was conducted to validate the binding between core ingredients and key targets. Results: A total of 146 active ingredients and 257 predicted targets were identified in Fuling Guizhi Gancao Dazao Decoction. A total of 2 929, 649, and 2 973 targets related to the anxiety disorders,arrhythmias,and irritable bowel syndrome were obtained,respectively,with 43 common targets associated with the decoction. PPI network analysis revealed that interleukin (IL)-6,AKT serine / threonine kinase 1 (AKT1), and tumor necrosis factor (TNF) and other core targets were identified. The main active ingredients were identified as quercetin, naringenin, kaempferol, licochalcone A, and β-carotene. GO functional enrichment involved processes such as regulation of gene expression and cellular response to reactive oxygen species. KEGG pathway enrichment mainly included the advanced glycation end product-receptor for advanced glycation end product (AGE-RAGE) signaling pathway and the IL-17 signaling pathway in diabetic complications. Molecular docking results showed that core ingredients such as quercetin with TNF, and naringenin with AKT1 exhibited good binding activity. Conclusion: Fuling Guizhi Gancao Dazao Decoction may act on core targets such as IL-6, AKT1, and TNF through active ingredients including quercetin and naringenin,thereby regulating signaling pathways such as AGE-RAGE and IL-17, to treat different diseases with the same method for anxiety disorders,arrhythmias,and irritable bowel syndrome.

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张傲,王璐,焦思宇,郭冉,王越,殷寻嫣.基于网络药理学和分子对接技术分析茯苓桂枝甘草大枣汤异病同治焦虑症、心律失常、肠易激综合征的作用机制[J].新中医,2026,58(11):145-154

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  • 在线发布日期: 2026-06-10
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