基于网络药理学分析口炎清颗粒治疗慢性咽炎的作用机制
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Analysis on Mechanism of Kouyanqing Granules in Treating Chronic Pharyngitis Based on Network Pharmacology
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    摘要:

    目的:基于网络药理学与分子对接技术分析口炎清颗粒治疗慢性咽炎的作用机制。方法:使用中药系统药理学数据库(TCMSP)、本草组鉴数据库(HERB) 筛选以及根据中国知网、万方数据库获得口炎清颗粒活性成分,根据GeneCards数据库获得慢性咽炎疾病靶点,取两者的交集,获得口炎清颗粒治疗慢性咽炎的治疗靶点。通过构建成分的靶点韦恩图,用Cytoscape 3.9.1软件构建“药物-成分-靶点”网络,获得主要活性成分。将交集靶点导入STRING数据库构建蛋白质相互作用(PPI) 网络,获得疾病治疗核心靶点。通过Meta scape 数据库进行基因本体(GO) 功能和京都基因与基因组百科全书(KEGG) 通路富集分析。通过CB-Dock2在线网站进行分子对接验证。结果:筛选出口炎清颗粒38个活性成分和5 510个潜在靶点,获得慢性咽炎500个靶点,获得315个交集靶点。口炎清颗粒主要活性成分为槲皮素、油酸、山奈酚、柚皮素、薯蓣皂苷元,核心靶点为表皮生长因子受体(EGFR)、肿瘤蛋白P53(TP53)、E1A结合蛋白P300(EP300)、乳腺癌易感基因1(BRCA1)、信号转导及转录激活蛋白3(STAT3) 等。GO分析生物过程(BP) 共富集228个条目,细胞组分(CC) 共富集100个条目,分子功能(MF) 共富集109个条目。KEGG分析主要涉及癌症、脂质与动脉粥样硬化、微小核糖核酸(MicroRNAs) 与癌症、糖尿病并发病中的晚期糖基化终末产物-受体(AGERAGE)等信号通路。主要活性成分与核心靶点分子对接结合能 ≤ -6.6 kcal/mol。结论:口炎清颗粒主要通过槲皮素、油酸、山奈酚等成分,作用于BRCA1、TP53、EGFR等核心靶点,调控癌症、脂质与动脉粥样硬化、AGE-RAGE等信号通路,从而减轻炎症反应、调节免疫,治疗慢性咽炎。

    Abstract:

    Abstract:Objective:To analyze the mechanism of Kouyanqing Granules in treating chronic pharyngitis based on network pharmacology and molecular docking technology. Method:The active ingredients of Kouyanqing Granules were screened through TCMSP database and HERB database,and obtained from Wanfang and CNKI. The targets of chronic pharyngitis were obtained using GeneCards database. The intersection of active ingredients and disease targets was taken to obtain the therapeutic targets of Kouyanqing Granules for treating chronic pharyngitis. A Venn diagram of potential targets for ingredients was constructed,and Cytoscape 3.9.1 software was used to construct a "drug-ingredient-target" network to obtain the main active ingredients. The intersecting targets were imported into the STRING database to obtain the protein-protein interaction (PPI) network and identify key therapeutic targets. GO and KEGG enrichment analysis on therapeutic targets were performed through the Metascape database. Finally,molecular docking was verified through the CB-Dock2 online website. Results: A total of 38 active ingredients and 5 510 potential targets in Kouyanqing Granules were screened,and 500 targets were obtained for chronic pharyngitis,and the intersection of the two yielded 315 therapeutic targets. The main active ingredients include quercetin,oleanolic acid,kaempferol,naringenin,and diosgenin. The core targets included epidermal growth factor receptor (EGFR), tumor protein P53 (TP53), E1A binding protein P300 (EP300),breast cancer susceptibility gene 1 (BRCA1),and signal transducer and activator of transcription 3 (STAT3), among others. GO analysis revealed enrichment in 228 biological process (BP) terms, 100 cellular component (CC) terms, and 109 molecular function (MF) terms. KEGG analysis indicated that the primary pathways involved cancer, lipid and atherosclerosis, MicroRNAs, and the cancer-induced and advanced glycation end products and their receptors in diabetic complications (AGE-RAGE) signaling pathway, among others. The binding energies for molecular docking between the main active ingredients and core targets were all ≤- 6.6 kcal/mol. Conclusion:Kouyanqing Granules primarily exert their therapeutic effects on chronic pharyngitis through ingredients such as quercetin, oleanolic acid, and kaempferol. These ingredients act on core targets like BRCA1, TP53, and EGFR, regulating signaling pathways including cancer, lipid and atherosclerosis, and AGE-RAGE, thereby alleviating inflammatory responses,modulating immunity,and treating chronic pharyngitis.

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钱炜霞,郑国平.基于网络药理学分析口炎清颗粒治疗慢性咽炎的作用机制[J].新中医,2026,58(9):194-200

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  • 在线发布日期: 2026-05-13
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