首页|基于数据挖掘和网络药理学的中医药治疗肉芽肿性小叶性乳腺炎用药规律及作用机制分析

基于数据挖掘和网络药理学的中医药治疗肉芽肿性小叶性乳腺炎用药规律及作用机制分析

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目的:探究中医治疗肉芽肿性小叶性乳腺炎(Granulomatous Lobular Mastitis,GLM)的用药规律及潜在作用机制,以期为后续实验研究、临床应用提供参考.方法:检索中国知网、万方、维普数据库中收录的相关中文文献,建立处方数据库,运用Excel、SPSS、OriginPro、Cytoscape对处方数据库中相关中药进行频次统计、性味归经分析、关联规则及聚类分析.利用网络药理学方法检测核心药物的潜在作用靶点及通路,从TCMSP、Disgenet等数据库获取核心药物与疾病的相关靶点信息,筛选交集靶点利用STRING数据库进行蛋白质-蛋白质相互作用分析,导入Cytoscape3.9.1 绘制蛋白质-蛋白质相互作用网络图,通过网络拓扑分析得到核心靶点.最后分子对接验证核心成分与核心靶点.结果:共纳入63 篇符合条件的相关文献,涉及 162味中药,其中皂角刺、甘草、柴胡、蒲公英、当归等使用频次最高;药物性味以温、寒及苦、甘、辛为主,主要归肝经、肺经、胃经、脾经.关联规则分析共获得 10 个药对,9 个药组,其中当归-黄芪出现频率最高;聚类分析得到 7 个聚类方.核心药物组合"当归、黄芪、皂角刺、金银花、蒲公英"与GLM的交集靶点16个,经拓扑分析得到9个关键靶点,包括白蛋白(Albumin,ALB)、信号转导及转录激活蛋白 3(Signal Transducer and Activator of Transcription 3,STAT3)、血清白细胞介素-6 等.运用DAVID平台进行基因本体论(GO)和京都基因与基因百科全书(KEGG)通路富集分析,主要涉及缺氧诱导因子 1(Hypoxia Inducible Factor-1,HIF-1)信号通路、Toll样受体信号通路、肿瘤坏死因子(Tumor Necrosis Factor,TNF)信号通路.分子对接结果显示核心成分与靶点对接良好,其中木犀草素与ALB结合性最好.结论:治疗GLM以补气养血、托疮生肌为主要治法.方药以补虚药为主,辅以清热药,核心药组通过调控HIF-1信号通路、Toll样受体信号通路、TNF信号通路等发挥治疗作用.
Prescription regularity and mechanisms of TCM medicine in treatment of granulomatous lobular mastitis:a study based on data mining and network pharmacology
Objective:To explore the medication rule and potential mechanism of TCM in the treatment of granulomatous lobular mastitis,in order to provide reference for follow-up experimental research and clinical application.Methods:Retrieve the Chinese literature on the treatment of granulomatous lobular mastitis with TCM medicine included in the database of CNKI,Wanfang and VIP,establish the relevant prescription database,and use Excel,SPSS,OriginPro and Cytascape to carry out frequency statistics,drug efficacy classification,sex and taste analysis,association rules,and cluster analysis of the TCM medicine in the prescription.The network pharmacology method was used to detect the potential target and pathway of the core drug,the target information related to the drug and granulomatous lobular mastitis from TCMSP was obtained,Disgene and other databases,upload the intersection target to STRING database for PPI analysis,Cytascape 3.9.1 was imported to draw the PPI network diagram and conduct network topology analysis to obtain the core target.Finally,the core components and core targets are verified by molecular docking.Results:A total of 63 eligible literature articles were included,involving 162 flavors of TCM medicine,among which Zaojiaoci(Spina Gleditsiae),Gancao(Radix Glycyrrhizae),Chaihu(Radix Bupleuri),Pugongying(Herba Taraxaci),Danggui(Radix Angelicae Sinensis)etc.were used the most.The natures and taste of the drug is mainly warm,cold and bitter,sweet with spicy,mainly attributed to the liver,lungs,stomach and spleen.A total of 10 drug pairs and 9 drug groups were obtained in the association rule analysis,among which Danggui-Huangqi(Radix Astragali)appeared most frequently.Cluster analysis yielded 7 clustering squares.There were 16 intersection targets of the core drug combination Danggui,Huangqi,Zaojiaoci,Jinyinhua(Flos Lonicerae Japonicae),Pugongying and GLM,and 9 key targets were obtained by topological analysis,including ALB,STAT3,IL-6,etc..The DAVID platform was used to perform GO function enrichment analysis and KEGG signaling pathway enrichment analysis,mainly involving HIF-1 signaling pathway,Toll-like receptor signaling pathway,TNF signaling pathway.The molecular docking results showed that the core components were well connected to the target,and luteolin had the best binding to ALB.Conclusion:The main treatment for granuloma lobular mastitis is to nourish Qi(气)and blood,and support sore and muscle.The prescription mainly consists of tonifying deficiency drugs,supplemented by heat clearing drugs.The core drug group exerts therapeutic effects by regulating the HIF-1 signaling pathway,Toll like receptor signaling pathway,TNF signaling pathway,etc..

Data miningGranulomatous lobular mastitisNetwork pharmacologyMolecular dockingMastitis

连文静、孙一华、赵鹏玲、孙子渊

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山东中医药大学第一临床医学院,山东 济南,250014

山东中医药大学中医学院,山东 济南,250014

山东中医药大学附属医院,山东 济南,250014

数据挖掘 肉芽肿性小叶性乳腺炎 网络药理学 分子对接 乳腺炎

吴阶平医学基金会临床科研专项资助基金项目

320.6750.2022-19-67

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(1)
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