基于数据挖掘和网络药理学分析现代名医名家治疗小儿遗尿症用药规律及作用机制
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Analysis of Medication Rules and Mechanism of Modern Renowned Traditional Chinese Medicine Physician in Treating Pediatric Enuresis Based on Data Mining and Network Pharmacology
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    摘要:

    目的:基于数据挖掘分析现代名医名家治疗小儿遗尿症的用药规律,并用网络药理学分析其作用 机制。方法:在中国知网、万方数据知识服务平台、中文科技期刊数据库中检索现代名医名家治疗小儿遗尿症 的相关文献,检索时间为各数据库自建库至2024年12月31日。经筛选后对用药频次及性味归经分布进行统 计,并进行关联分析、相关性分析及聚类分析,筛选核心处方。通过TCMSP及HERB数据库筛选核心处方主 要活性成分,并预测对应靶点,采用Drugbank、GeneCards、Therapeutic Target Database、OMIM数据库筛选遗 尿症疾病靶点,并通过R语言软件获取药物疾病交集靶点。利用STRING数据库对交集靶点进行蛋白质相互作 用(PPI) 网络构建,并利用R语言进行基因本体(GO) 功能和京都基因与基因组百科全书(KEGG) 通路富 集分析。最后利用AutoDock Tools、PyMol等软件进行分子对接,验证主要活性成分与关键靶点的结合能力。结 果:共纳入132首方剂,195味中药。所用中药药性多温、平,药味多甘、苦、辛,主要归肾、肺经。通过关 联分析、相关性分析及聚类分析获得核心处方为益智仁、山药、乌药、桑螵蛸、石菖蒲、黄芪。网络药理学分 析获得核心处方活性成分51个,对应靶点728个,遗尿症疾病靶点238个,得到49个交集靶点。筛选出主要活 性成分为Boldine,5个关键靶点为烟碱型乙酰胆碱受体α4亚基(CHRNA4)、5-羟色胺受体2A型(HTR2A)、 μ型阿片受体1(OPRM1)、多巴胺D2受体(DRD2)、5-羟色胺转运体(SLC6A4)。GO富集分析主要涉及G蛋 白偶联受体信号通路、突触膜、G蛋白偶联胺受体活性等;KEGG富集分析则主要涉及神经活性配体-受体相 互作用、血清素能突触、激素信号等信号通路。分子对接结果显示Boldine与5个关键靶点均有良好的结合能 力。结论:现代名医名家治疗遗尿常用药物多属温性、甘味,主要归肾、肺经。核心处方由益智仁、山药、乌 药、桑螵蛸、石菖蒲、黄芪组成。进一步的网络药理学分析提示,该核心处方可能通过调控神经信号传导与睡 眠调节通路来发挥控尿作用,其中乌药所含成分Boldine可能是其主要活性成分。

    Abstract:

    Abstract:Objective:To analyze the medication rules of modern renowned traditional Chinese medicine (TCM) physicians in treating pediatric enuresis based on data mining, and to investigate its mechanism using network pharmacology. Methods: Relevant literature on the treatment of pediatric enuresis by modern renowned TCM physicians was retrieved from the China National Knowledge Infrastructure (CNKI),Wanfang Data Knowledge Service Platform (Wanfang),and China Science and Technology Journal Database (VIP). The search period spanned from the inception of each database to December 31,2024. After screening,the distribution of frequency of herb use and the herb properties,flavors,and meridian tropisms were statistically analyzed. Association analysis,correlation analysis, and cluster analysis were performed to identify the core prescription. The main active components of the core prescription were screened via the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and the HERB database, and their corresponding targets were predicted. Disease targets for enuresis were identified using the DrugBank, The Human Gene Database (GeneCards), Therapeutic Target Database (TTD), and Online Mendelian Inheritance in Man (OMIM) databases. Overlapping targets shared between the drug components and the disease were obtained using R software. The Search Tool for the Retrieval of Interacting Genes/Proteins (STRING) database was used to construct a protein-protein interaction (PPI) network for the overlapping targets. Gene Ontology (GO) functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis were further conducted using R software. Finally,molecular docking was performed using AutoDock Tools and PyMOL software to validate the binding affinity between the core active components and key disease targets. Results:A total of 132 prescriptions involving 195 distinct Chinese herbal medicines were included. The herbs used were predominantly warm in property and neutral in nature,with sweet,bitter,and pungent being the most common flavors. They primarily attributed to the kidney and lung meridians. Association analysis, correlation analysis, and cluster analysis identified the core prescription consisting of six herbs: Alpiniae Oxyphyllae Fructus, Dioscoreae Rhizoma, Linderae Radix,Mantidis Oötheca ,Acori Tatarinowii Rhizoma,and Astragali Radix. Network pharmacology analysis identified 51 active components from the core prescription,corresponding to 728 targets,and 238 disease targets for enuresis, resulting in 49 overlapping targets. The main active component identified was Boldine. The five key targets were neuronal acetylcholine receptor subunit alpha-4 (CHRNA4), 5-hydroxytryptamine receptor 2A (HTR2A), opioid receptor mu 1 (OPRM1),dopamine receptor D2 (DRD2),and solute carrier family 6 member 4 (SLC6A4). GO functional enrichment analysis mainly involved the G protein-coupled receptor signaling pathway, synaptic membrane, and G protein-coupled amine receptor activity. KEGG enrichment analysis primarily involved signaling pathways such as neuroactive ligand-receptor interaction, serotonergic synapse, and endocrine resistance. Molecular docking results indicated that Boldine had good binding affinity with all five key targets. Conclusion:Modern renowned TCM physicians commonly use herbs that are warm in property,sweet in flavor,and primarily attribute to the kidney and lung meridians for treating enuresis. The core prescription is composed of Alpiniae Oxyphyllae Fructus,Dioscoreae Rhizoma, Linderae Radix, Mantidis Oötheca, Acori Tatarinowii Rhizoma, and Astragali Radix. Further network pharmacology analysis suggests that this core prescription may exert its therapeutic effect on urinary control by regulating neural signaling transmission and sleep-wake modulation pathways. Boldine, a component found in Linderae Radix, may be its key active substance.

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魏嘉豪,许为邦,伍家强,吴梓纶,吉训超.基于数据挖掘和网络药理学分析现代名医名家治疗小儿遗尿症用药规律及作用机制[J].新中医,2026,58(5):148-157

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  • 在线发布日期: 2026-03-12
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