[1]刘甜甜,王杰宁,王一诺,等.基于数据挖掘和网络药理学探讨原发性痛经用药规律及作用机制[J].西部中医药,2025,38(02):87-94.[doi:10.12174/j.issn.2096-9600.2025.02.19]
　LIU Tiantian,WANG Jiening,WANG Yinuo,et al.The Law of Medication for Primary Dysmenorrhea and the Mechanism Based on Data Mining and Network Pharmacology[J].Western Journal of Traditional Chinese Medicine,2025,38(02):87-94.[doi:10.12174/j.issn.2096-9600.2025.02.19]
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基于数据挖掘和网络药理学探讨原发性痛经用药规律及作用机制()
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《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
38
期数:
2025年02期
页码:
87-94
栏目:
二次研究
出版日期:
2025-02-15

文章信息/Info

Title:
The Law of Medication for Primary Dysmenorrhea and the Mechanism Based on Data Mining and Network Pharmacology
作者:
刘甜甜1, 王杰宁1, 王一诺2, 宁树平3, 王超杰2
1.上海中医药大学附属第七人民医院，上海 200120
2.黑龙江中医药大学，黑龙江 哈尔滨 150040
3.宾川县中医医院，云南 宾川 671600
Author(s):
LIU Tiantian1, WANG Jiening1, WANG Yinuo2, NING Shuping3, WANG Chaojie2
1.Seventh People’ s Hospital of Shanghai University of TCM, Shanghai 200120, China
2.Heilongjiang University of Chinese Medicine, Harbin 150040, China
3.Binchuan County Hospital of TCM, Binchuan 671600, China
关键词:
原发性痛经; 中医药; 数据挖掘; 网络药理学; 分子对接
Keywords:
primary dysmenorrhea; TCM; data mining; network pharmacology; molecular docking
分类号:
R271.11+3
DOI:
10.12174/j.issn.2096-9600.2025.02.19
文献标志码:
A
摘要:
目的探讨中医药治疗原发性痛经（primary dysmenorrhea，PD）的用药特点与规律。 方法通过CNKI检索自2016年1月1日至2021年5月31日的中医药治疗PD的文献，经筛选后建立数据库；运用Microsoft Excel 2019、SPSS Modeler 18.0、SPSS Statistics 22.0软件进行数据挖掘，分析用药规律；通过检索中药系统药理学数据库与分析平台（traditional Chinese medicine systems pharmacology database and analysis platform，TCMSP）、人类基因数据库（the human gene database，GeneCards）、在线人类孟德尔遗传数据库（online mendelian inheritance in man，OMIM）、DrugBank以及DisGeNET数据库获得核心药物组合和疾病的有效活性成分，利用Cytoscape 3.8.2软件构建“活性成分-靶点作用网络”，运用STRING构建蛋白-蛋白互作（protein-protein interactions，PPI）网络，并通过Cytoscape 3.8.2进行网络拓扑分析获得药物和疾病交互的核心靶点；通过Metascape数据库对核心靶点进行基因本体论（gene ontology，GO）和京都基因与基因组百科全书（kyoto encyclopedia of genes and genomes，KEGG）富集分析。 结果共纳入文献131篇，中药处方181首，中药166味，获得高频中药22味，当归-川芎、当归-白芍、五灵脂-蒲黄等35对核心药物组合；因子分析提取7个公因子，聚类分析得到6类；得到核心组方有效活性成分180个，药物作用靶点620个，PD靶点1970个，核心组方治疗PD的核心靶点281个；GO功能分析发现以炎症反应、损伤应答、脂筏、树突、受体信号激活、离子信号激活等为主；KEGG通路富集分析显示核心靶点与P13K/AKT、cAMP、MAPK、钙信号、T细胞受体、HIF-1、Nod样受体、NF-κB等信号通路有关；分子对接结果显示IL-6结合能最低的活性成分为β-谷甾醇与山柰酚，与JUN结合能最低的活性成分为槲皮素，与TNF结合能最低的为β-谷甾醇。 结论中医药治疗PD以行气活血化瘀、缓急止痛、益气养血为原则，其核心药物治疗PD的作用机制可能与炎症反应、氧化应激、离子平衡、血管生成、细胞凋亡等有关。
Abstract:
ObjectiveTo discuss the characteristics and law of medication of TCM therapy for primary dysmenorrhea (PD). MethodsThe literature on TCM therapy for PD were searched via CNKI from January 1st, 2016 to May 31st, 2021, to establish the database by screening; Microsoft Excel 2019, SPSS Modeler 18.0 and SPSS Statistics 22.0 software were applied to perform data mining for the laws of medication; the effective active ingredients of core drug combination and disease were obtained by searching TCMSP, GeneCards, OMIM, DrugBank and DisGeNET database, Cytoscape 3.8.2 software was utilized to construct "active ingredients-target interaction network", STRING was used to build PPI network, the core targets of drug and disease interaction were obtained through network topology analysis in Cytoscape 3.8.2 software; GO and KEGG enrichment analysis of the core targets were performed through Metascape database. ResultsThe study has included 131 papers, 181 herbal prescriptions, and 166 herbs, involving 22 high-frequency herbs, and 35 core drug combinations including Danggui (Angelicae sinensis radix)-Chuanxiong (Chuanxiong rhizoma), Danggui (Angelicae sinensis radix)-Baishao (Paeoniae radix alba), Trogopterus Dung-Puhuang (Typhae pollen); factor analysis extracted seven common factors, cluster analysis obtained six kinds; all 180 active ingredients of the core prescriptions, 620 herbal targets, 1970 PD targets and 281 core targets of treating PD with the core prescriptions were gained; GO functional analysis found that the main functions were the inflammatory response, injury response, lipid raft, dendrite, receptor signal activation and ion signal activation; KEGG pathway enrichment analysis displayed that the core targets were associated with PI3K/AKT, cAMP, MAPK, calcium signals, T cell receptor, HIF-1, NOD-like receptor and NF-κB signaling pathway; the results of molecular docking displayed that β -Sitosterol and kaempferol presented the lowest binding energy with IL-6, quercetin had the lowest binding energy with JUN, β-Sitosterol with the lowest binding energy with TNF. ConclusionTCM therapy for PD adopts promoting Qi circulation, activating blood and resolving stagnation, relieving pain, benefiting Qi and nourishing blood as the principles, the mechanism of action of treating PD with the core drugs might be related to inflammatory response, oxidative stress, ion balance, angiogenesis and apoptosis.

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备注/Memo

备注/Memo:
刘甜甜（1994—），女，博士学位，主治医师。研究方向：中西医结合康复。中央财政支持中医药传承创新发展示范试点项目（YC-2023-0201）；2023年上海市浦东新区卫生健康委员会学科建设项目（PWZzb2022-11）；上海市浦东新区“国家中医药发展综合改革试验区”建设项目（PDZY-2023-0701）；上海市浦东新区“国家中医药发展综合改革试验区”建设项目——唐强名中医工作室（PDZY-2022-0702）；上海中医药大学“关键领域优秀博士生培育项目”（GJ2023020）；上海市浦东新区卫生健康委员会学科带头人培养计划（PWRd2023-08）。
更新日期/Last Update: 2025-02-15