基于数据挖掘及网络药理学分析中医药治疗骨髓炎用药规律及核心药物作用机制
DOI:
CSTR:
作者:
作者单位:

作者简介:

通讯作者:

中图分类号:

R285

基金项目:

国家中医药传承创新中心科研专项项目(2022QN10)


Exploring Medication Patterns and Core Medicine Mechanisms in Chinese Medicine for Osteomyelitis Based on Data Mining and Network Pharmacology
Author:
Affiliation:

Fund Project:

  • 摘要
  • |
  • 图/表
  • |
  • 访问统计
  • |
  • 参考文献
  • |
  • 相似文献
  • |
  • 引证文献
  • |
  • 资源附件
  • |
  • 文章评论
    摘要:

    目的:基于文献数据挖掘分析中医药治疗骨髓炎的用药规律,并应用网络药理学方法分析核心药 物的作用靶点。方法:检索中国学术期刊服务平台(CNKI)、万方数据库、维普中文科技期刊数据库、PubMed、 Embase、Web of Science自建库至2025年3月1日公开发表的中医药治疗骨髓炎的文献,全文阅读获取中药处方 数据,运用Excel、Python、Cytoscape3.10.3、SPSS Modeler18.0 进行中药频次、性味归经统计及关联规则分析、 聚类分析。以获得的核心中药为研究对象,从中药系统药理学数据库与分析平台(TCMSP) 获取有效成分及靶点, 通过UniProt数据库校正,在比较毒理基因组学数据库(CTD)、GeneCards数据库、人类孟德尔遗传数据库(OMIM) 检索与骨髓炎相关的疾病基因,进行交集分析获得共同基因,利用Cytoscape获得核心靶点蛋白质互作(PPI) 网络图。将药物-疾病交集靶点导入Metascape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。结果:纳入文献246篇,处方249首,中药204味、32类,补气药、清热解毒药、补血及活血 止痛药最多。药物药性以温、寒、平为主,药味以甘、苦、辛居多,归经以肝、脾、肺三经为主。关联规则分 析得出关联性最强的药物组合为蒲公英-金银花、白术-黄芪、党参-黄芪,聚类分析获得5组处方。以“当归-金 银花-甘草-黄芪”为核心药物,获得137个活性成分及对应靶点242个,与骨髓炎靶点11 888取交集获得217个交 集靶点。交集靶点GO分析主要富集到有机环状化合物反应、异源物质刺激反应等生物过程,膜微区、膜微结构 域等细胞组成,以及类泛素蛋白连接酶结合、激酶结合等分子功能;KEGG通路富集主要涉及癌症通路、脂质与 动脉粥样硬化通路以及转录失调等。筛选出3个关键活性成分槲皮素、豆甾醇、甘草酚及前列腺素内过氧化物合 酶2(PTGS2)、肿瘤坏死因子(TNF)、白细胞介素(IL) -6、蛋白激酶1(AKT1)、信号转导和转录激活因子 3(STAT3) 等核心靶点。分子对接验证显示关键活性成分及核心靶点对接结合能均<-5 kcal/mol。结论:骨髓 炎的病因病机为热毒蕴结、气血不足、瘀滞和肝肾亏虚,标本兼治、扶正祛邪是基本治则,有清热解毒、活血 化瘀、益气养血、补益肝肾等法,核心药物可能通过槲皮素、豆甾醇、甘草酚、山奈酚等成分作用于TNF、IL-6、 AKT1、STAT3等靶点,干预炎症因子生成、影响成骨细胞分化、调控血管生成,发挥治疗骨髓炎的作用。

    Abstract:

    Abstract: Objective: To analyze the medication patterns of Chinese medicine in treating osteomyelitis through literature data mining and to investigate the action targets of core medicine using network pharmacology. Methods: Literature on Chinese medicine treatment of osteomyelitis published from the inception of the databases to March 1, 2025, was retrieved from CNKI, Wanfang, VIP, PubMed, Embase, and Web of Science. Full-text reading was performed to extract Chinese medicine prescription data. Excel, Python, Cytoscape 3.10.3, and SPSS Modeler 18.0 were used for the analyses of Chinese medicine frequency, property, flavor, and meridian tropism, as well as association rule and cluster analyses. The core Chinese medicines obtained were used as research objects. Effective components and targets were retrieved from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)and verified via the UniProt database. Disease genes related to osteomyelitis were identified in the GeneCards database and the Online Mendelian Inheritance in Man(OMIM)database,and intersection analysis was conducted to obtain common genes. The core target protein-protein interaction(PPI)network diagram was obtained using Cytoscape. The medicine-disease intersection targets were imported into the Metascape database for Gene Ontology (GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analyses. Results:A total of 246 articles were included,with 249 prescriptions,204 Chinese medicines,and 32 categories. The most common categories were qi-tonifying, heat - clearing and detoxifying, and blood-tonifying and blood-activating and analgesic medicines. The medicine properties were mainly warm,cold,and neutral,with sweet,bitter,and pungent flavors predominating. The meridian tropism was primarily to the liver,spleen,and lung meridians. Association rule analysis revealed the strongest associationsbetweenTaraxaciHerba-LoniceraeJaponicaeFlos,Atractylodis Macrocephalae Rhizoma - Astragali Radix, and Codonopsis Radix - Astragali Radix. Cluster analysis yielded five groups of prescriptions. Using "Angelicae Sinensis Radix - Lonicerae Japonicae Flos - Glycyrrhizae Radix et Rhizoma - Astragali Radix" as the core drugs,137 active ingredients and 242 corresponding targets were obtained. These were intersected with 11 888 targets related to osteomyelitis, resulting in 217 overlapping targets. GO analysis of the overlapping targets revealed significant enrichment in biological processes such as responses to organic cyclic compounds and xenobiotic stimulus; cellular components including membrane rafts and membrane microdomains; and molecular functions such as ubiquitin-like protein ligase binding and kinase binding. KEGG pathway enrichment analysis primarily identified pathways related to cancer,lipid and atherosclerosis,as well as transcriptional misregulation in cancer. Three key active ingredients were identified,namely quercetin,stigmasterol,and glycyrol. Additionally,core targets such as prostaglandin-endoperoxide synthase 2(PTGS2),tumor necrosis factor(TNF),interleukin-6(IL-6),AKT serine/threonine kinase 1(AKT1), and signal transducer and activator of transcription 3 (STAT3) were identified. Molecular docking validation demonstrated that the binding energies between the key active ingredients and the core targets were all less than -5 kcal/ mol. Conclusion: The etiology and pathogenesis of osteomyelitis involves heat-toxin accumulation, qi and blood deficiency,blood stasis,and liver and kidney deficiency. The basic treatment principles are to treat both the root and the branch of the disease and to reinforce the healthy qi while dispelling pathogenic factors. The treatment methods include heat-clearing and detoxifying,blood-activating and stasis-removing,qi-tonifying and blood-nourishing,and liver and kidney-tonifying. The core medicine may act on targets such as TNF, IL6, AKT1, and STAT3 through componentslike quercetin,stigmasterol,glycyrol,and kaempferol,thereby intervening in the generation of inflammatory factors,affecting osteoblast differentiation,and regulating angiogenesis to exert therapeutic effects on osteomyelitis.

    参考文献
    相似文献
    引证文献
引用本文

陈晖,柯道泽,卢泽声,魏毓麟,王松洋,黄培镇,曾展鹏.基于数据挖掘及网络药理学分析中医药治疗骨髓炎用药规律及核心药物作用机制[J].新中医,2025,57(21):180-186

复制
分享
相关视频

文章指标
  • 点击次数:
  • 下载次数:
  • HTML阅读次数:
  • 引用次数:
历史
  • 收稿日期:
  • 最后修改日期:
  • 录用日期:
  • 在线发布日期: 2025-11-11
  • 出版日期:
文章二维码