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基于数据挖掘和网络药理学的反流性食管炎用药规律及机制分析

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目的:基于数据挖掘和网络药理学分析数据库文献中治疗反流性食管炎方剂的用药配伍规律及核心中药作用机制.方法:检索中国知网、维普中文科技期刊全文数据库及万方数据库中治疗反流性食管炎的中药处方,使用Excel建立数据集,进行频数分析,借助SPSS Modeler 18.0、SPSS Statistics 26.0 软件进行关联规则和聚类分析.使用中药系统药理学数据库与分析平台(TCMSP)、GeneCards及Metascape等数据库和Cytoscape软件预测中药治疗反流性食管炎的靶点和通路.结果:共纳入 386首方剂,包含 182 味中药,高频中药为甘草、半夏、黄连、柴胡、白芍和吴茱萸等,通过关联规则分析得出置信度和提升度高的药组为柴胡-吴茱萸-黄连,聚类分析得到7个药物组合.核心药组共获得44个活性成分,含靶点基因219个;筛选后得到反流性食管炎相关靶基因 1 384 个,匹配后得到共同靶基因 98 个.通过分析得到丝氨酸/苏氨酸蛋白激酶 1(Akt Serine/Threonine Kinase 1,AKT1)、血管内皮生长因子A(Vascular Endothelial Growth Factor A,VEGFA)、白细胞介素(Interleukin,IL)-6等为治疗反流性食管炎的关键靶点,靶点通路富集结果发现癌症相关通路、糖尿病并发症中的晚期糖基化终末产物-晚期糖基化终末产物受体信号通路、乙型肝炎等为主要通路,涉及对无机物的反应、细胞对氮化合物的反应、激酶结合、细胞因子受体结合等生物功能.槲皮素、异鼠李素、山柰酚等成分可能发挥主要的治疗作用.结论:本研究初步探索出近年来中医药治疗反流性食管炎的组方用药规律及 3味核心中药的作用成分、靶点及通路,为反流性食管炎的临床治疗和新药研究提供理论依据.
Medication rules and action mechanism of TCM prescriptions on reflux esophagitis based on data mining and network pharmacology
Objective:To analyze the drug compatibility rules and the action mechanism of core Chinese medicinal materials in the treatment of reflux esophagitis in the database literature based on data mining and network pharmacology.Methods:Traditional Chinese medicine prescriptions for the treatment of reflux esophagitis were retrieved from CNKI,VIP and Wanfang databases.Excel was usedto establish database for frequency analysis,and SPSS Modeler 18.0 and SPSS Statistics 26.0 software were used for association rules and cluster analysis.TCMSP,GeneCards,Metascape database and Cytoscape software were used to predict the target and pathway of traditional Chinese medicines in the treatment of reflux esophagitis.Results:A total of 386 prescriptions were included,including 182 Chinese medicines,and the high frequency Chinese medicines were Gancao(Radix Glycyrrhizae),Banxia(Rhizoma Pinelliae),Huanglian(Rhizoma Coptidis),Chaihu(Radix Bupleuri),Baishao(Radix Paeoniae Alba),Wuzhuyu(Fructus Evodiae),etc.According to association rule analysis,the drug group with high confidence and improvement degree was Chaihu-Wuzhuyu-Huanglian,and 7 drug combinations were obtained by cluster analysis.A total of 44 active components were obtained from the core drug group,including 219 target genes.1 384 related target genes were obtained after screening for reflux esophagitis,and 98 common target genes were obtained after matching.Through analysis,AKT1,VEGFA and IL6 were identified as the key targets for the treatment of reflux esophagitis.The enrichment results of target pathways showed that cancer-related pathways,AGE-RAGE signaling pathway in diabetic complications,and hepatitis B were the main pathways,involving the response to inorganic substances,cell response to nitrogen compounds,kinase binding,cytokine receptor binding and other biological functions.Quercetin,isorhamnetin,kaempferol and other components may play an important role in the treatment.Conclusion:This study preliminarily explores the prescription rules of traditional Chinese medicine in the treatment of reflux esophagitis in recent years,and the action components,targets and pathways of the three core Chinese medicines,which provides a theoretical basis for the clinical treatment of the disease and the research of new drugs.

Reflux esophagitisData miningNetwork pharmacologyMedication ruleMechanism of action

苏妙芳、梁振钰、陈桂敏

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黑龙江中医药大学,黑龙江 哈尔滨,150040

海南医学院,海南 海口,571101

反流性食管炎 数据挖掘 网络药理学 用药规律 作用机制

2024

中医临床研究
中华中医药学会

中医临床研究

影响因子:0.839
ISSN:1674-7860
年,卷(期):2024.16(3)
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