基于数据挖掘和网络药理学分析中医药治疗2 型糖尿病脾气虚证用药规律及核心药组作用机制
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R259;R285

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广东省中医药局科研项目(20241041)


Analysis of Medication Rules and Mechanism of Core Herb Pairs in Traditional Chinese Medicine for Treating Type 2 Diabetes Mellitus with Spleen Qi Deficiency Syndrome Based on Data Mining and Network Pharmacology
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    摘要:

    目的:基于数据挖掘分析中医药治疗2型糖尿病脾气虚证的用药规律,并利用网络药理学分析核 心药组的作用机制。方法:回顾性分析广东省中西医结合医院内分泌科2023年1月至2024年12月收治并确诊 为2型糖尿病脾气虚证的病案资料,对中药处方用药进行频次、性味归经统计及关联规则、聚类分析,总结用 药规律。并通过网络药理学及分子对接技术预测核心药物的潜在作用机制。结果:共纳入190例患者病案资 料,涉及中药212味,常用中药的性味通常以甘温为主,归经以肺、脾经居多。关联规则分析结果显示白术- 茯苓-党参-陈皮4味药有强关联;聚类分析结果显示有5组药物高频共现。获得核心药物为白术、茯苓、陈 皮、党参。共筛选获得核心药物48个药物活性成分,对应靶点154个,获得疾病靶点1 435个,药物疾病交集 靶点75个。PPI网络分析显示前5位关键活性成分为木犀草素、7-甲氧基-2-甲基异黄酮、柚皮素、川陈皮素、 豆甾醇;核心靶点为蛋白激酶B1 (AKT1)、肿瘤坏死因子(TNF)、白细胞介素(IL) -6、肿瘤抑制因子 p53(TP53)、过氧化物酶体增殖物激活受体γ(PPARG)。GO功能分析涉及外来生物刺激反应、凋亡过程负调 控和RNA聚合酶II转录等生物过程,细胞外间隙、质膜和蛋白复合物等细胞组分,相同蛋白结合、酶结合、 蛋白质同源二聚化活性、锌离子结合子等分子功能。KEGG分析主要涉及癌症、脂质与动脉粥样硬化、IL-17 和内分泌耐受性等信号通路。前5位核心靶点与前5位药物关键活性成分的分子对接结合能均<-5.0 kcal/mol。 结论:中医药治疗2型糖尿病脾气虚证以补益药为主,配合利水渗湿、理气化痰药物以达到健脾祛湿的功效; 其中白术、茯苓、陈皮、党参为健脾祛湿治法的核心药组。该药组通过木犀草素、7-甲氧基-2-甲基异黄酮、 柚皮素、川陈皮素、豆甾醇等成分,作用于AKT1、TNF、IL-6、TP53、PPARG等靶点,调节炎症、代谢途 径、胰岛素和脂质代谢等信号通路,治疗2型糖尿病。

    Abstract:

    Abstract: Objective: To analyze the medication rules of traditional Chinese medicine (TCM) in treating type 2 diabetes mellitus( T2DM) with spleen qi deficiency syndrome based on data mining,and to explore the mechanism of action of core herb pairs using network pharmacology. Methods: Retrospective analysis was conducted on medical records of patients diagnosed with T2DM with spleen qi deficiency syndrome in the Department of Endocrinology, Guangdong Provincial Hospital of Traditional Chinese and Western Medicine from January 2023 to December 2024. Frequency analysis, nature-flavor-channel entry statistics, association rule analysis, and cluster analysis were performed on Chinese herbal medicine prescriptions to summarize medication rules. Network pharmacology and molecular docking technology were used to predict the potential mechanism of the core herb pair. Results:A total of 190 patient medical records were included, involving 212 Chinese herbal medicines. The core natures and flavors of commonly used Chinese herbal medicines were mainly sweet and warm, with channel entry mainly in the lung and spleen channels. Association rule analysis showed a strong correlation among four herbs: Atractylodis Macrocephalae Rhizoma,Poria,Codonopsis Radix,and Citri Reticulatae Pericarpium. Cluster analysis identified five groups of highfrequency co-occurring herbs. The core herb pair was confirmed as Atractylodis Macrocephalae Rhizoma,Poria,Citri Reticulatae Pericarpium,and Codonopsis Radix. A total of 48 active components of the core herb pair,154 herb pairrelated targets,1 435 disease targets,and 75 common targets between the herb pair and the disease were screened out. Protein-protein interaction (PPI) network analysis revealed the top five key active components:Luteolin,7-Methoxy- 2-methylisoflavone, Naringenin, Nobiletin, and Stigmasterol; the core targets were AKT Serine/Threonine Kinase 1 (AKT1), Tumor Necrosis Factor (TNF), Interleukin-6 (IL-6), Tumor Suppressor Protein p53 (TP53), and Peroxisome Proliferator-Activated Receptor γ (PPARG). Gene Ontology (GO) functional analysis involved biological processes such as response to xenobiotic stimulus, negative regulation of apoptotic process, and RNA polymeraseⅡ transcription;cellular components including extracellular space,plasma membrane,and protein complex;molecular functions such as identical protein binding,enzyme binding,protein homodimerization activity,and zinc ion binding. Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis mainly involved signaling pathways such as cancer,lipid and atherosclerosis,IL-17,and endocrine resistance. The molecular docking binding energies between the top five core targets and the top five key active components of the herb pair were all < -5.0 kcal/mol. Conclusion: Chinese herbal medicines treatment of T2DM with spleen qi deficiency syndrome is mainly based on tonic herbs, combined with urination-promoting and dampness-eliminating, qi-regulating and phlegm-resolving herbs to achieve the effect of strengthening the spleen and dispelling dampness. Among them, Atractylodis Macrocephalae Rhizoma, Poria, Citri Reticulatae Pericarpium, and Codonopsis Radix are the core herb pair for the treatment principle of strengthening the spleen and dispelling dampness. Through components such as Luteolin, 7-Methoxy-2- methylisoflavone, Naringenin, Nobiletin, and Stigmasterol, they act on targets including AKT1, TNF, IL-6, TP53, and PPARG, regulating signaling pathways such as inflammation, metabolic pathways, insulin, and lipid metabolism,thereby exerting a therapeutic effect on T2DM.

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周慧敏,唐奇志,赖洽群.基于数据挖掘和网络药理学分析中医药治疗2 型糖尿病脾气虚证用药规律及核心药组作用机制[J].新中医,2026,58(7):134-142

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