基于中药复方专利用药规律挖掘治疗脾虚湿蕴证溃疡性结肠炎的小复方及其网络药理学分析  

Excavation of small complex prescriptions for the treatment of ulcerative colitis with syndrome of spleen deficiency and dampness accumulation and its network pharmacology analysis based on medication rule of Traditional Chinese Medicine compound patents

作　　者：覃淼 黄洪 熊万娜[3] 朱素梅 林忆龙 黎芳 梁健钦[6,7] QIN Miao;HUANG Hong;XIONG Wanna;ZHU Sumei;LIN Yilong;LI Fang;LIANG Jianqin(School of Clinical Medicine,Nanning 530023,Guangxi,China;Teaching Affair Office,Nanning 530023,Guangxi,China;School of Pharmacy,Guangxi Medical College,Nanning 530023,Guangxi,China;Graduate School,Guangxi University of Chinese Medicine,Nanning 530200,Guangxi,China;Drug Research Center,Ruikang Hospital Affiliated to Guangxi University of Chinese Medicine,Nanning 530011,Guangxi,China;School of Pharmacy,Guangxi University of Chinese Medicine,Nanning 530200,Guangxi,China;Key Laboratory of Generic Technology Research and Development of Traditional Chinese Medicine Preparations,Guangxi University of Chinese Medicine,Nanning 530200,Guangxi,China)

机构地区：[1]广西卫生职业技术学院临床医学院,广西南宁市530023 [2]广西卫生职业技术学院教务处,广西南宁市530023 [3]广西卫生职业技术学院药学院,广西南宁市530023 [4]广西中医药大学研究生院,广西南宁市530200 [5]广西中医药大学附属瑞康医院药物研究中心,广西南宁市530011 [6]广西中医药大学药学院,广西南宁市530200 [7]广西中医药大学中药制剂共性技术研发重点实验室,广西南宁市530200

出　　处：《广西医学》2025年第2期244-253,共10页Guangxi Medical Journal

基　　金：国家自然科学基金项目(81960872);广西高校中青年教师科研基础能力提升项目(2024KY0314,2020KY43011)。

摘　　要：目的 基于中药复方专利用药规律,挖掘治疗脾虚湿蕴证溃疡性结肠炎(UC)的小复方,并通过网络药理学分析其潜在作用机制。方法 通过国家知识产权局官网检索治疗UC的中药复方专利,分析药物的药味、药性、归经、功效分类的频次、频率,并进行关联规则分析和聚类分析,挖掘治疗脾虚湿蕴证UC的小复方。通过中药系统药理学平台数据库和SwissADME数据库检索小复方药物的化学成分,利用SwissTargetPrediction数据库预测化学成分的作用靶点,通过GeneCards^(®)等数据库获取UC相关靶点,取两者交集作为潜在作用靶点。将潜在作用靶点导入STRING数据库,以Degree值排名前50的潜在作用靶点构建蛋白-蛋白相互作用网络,以与其相关联的化学成分作为潜在活性成分。对潜在作用靶点进行基因本体论功能富集分析和京都基因与基因组百科全书通路富集分析,通过Cytoscape软件构建药物-潜在活性成分-潜在作用靶点网络。结果 检索获得中药复方专利308项,包含525种药物,其中甘草、白术、黄连、白芍、木香、党参、茯苓、黄芪等药物的使用频次较高,525种药物以苦味、温性为主,多归脾经,以补虚药、清热药居多。关联规则分析结果显示,甘草、白术、白芍、茯苓、党参、木香、黄连等药物的关联性较强。聚类分析并结合临床经验得到治疗脾虚湿蕴证UC的小复方由白术、茯苓、党参、白芍、甘草、黄芪、木香组成。小复方的化学成分共149个,对应的作用靶点共1 008个,UC相关靶点共1 918个,交集靶点(潜在作用靶点)共347个,包括雌激素受体1(ESR1)、聚ADP核糖聚合酶1(PARP1)、前列腺素内过氧化物合酶2(PTGS2)等,潜在活性成分共105个,包括光甘草定、黄芪紫檀烷苷、美迪紫檀素等。富集分析结果显示,小复方治疗脾虚湿蕴证UC的作用靶点涉及蛋白质磷酸化、炎症反应、凋亡过程的负调节等生物过�Objective To excavate the small complex prescriptions for the treatment of ulcerative colitis(UC)with syndrome of spleen deficiency and dampness accumulation based on medication rule of Traditional Chinese Medicine compound patents,and to analyze their potential mechanism through network pharmacology.Methods Traditional Chinese Medicine compound patents for the treatment of UC was retrieved from the official website of China National Intellectual Property Administration.The drug flavor,drug property,meridians,frequency of effect classification were analyzed,and the association rule analysis and cluster analysis were conducted for excavating small complex prescriptions for treating UC with syndrome of spleen deficiency and dampness accumulation.The Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform and SwissADME databases were adopted to search the chemical components of drugs of small complex prescriptions.The SwissTargetPrediction database was employed to predict effect targets of chemical components.The databases such as GeneCards^(®)were used to obtain targets related to UC and intersection as potential effect targets.The potential effect targets were imported into the STRING database,and the top 50 potential effect targets with Degree value were used to establish a protein⁃protein interaction network,and the associated chemical components were used as potential active components.The Gene Ontology functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis were performed on potential effect targets.The Cytoscape software was adopted to establish drug⁃potential active component⁃potential effect targets network.Results A total of 308 patents of Traditional Chinese Medicine compound were obtained,including 525 categories of drugs,among which drugs such as licorice,Atractylodes macrocephala,Coptidis rhizoma,Paeoniae radix alba,Aucklandiae radix,Codonopsis radix,Poria cocos,Hedysarum multijugum were frequently used.A total of 525 catego

关 键 词：溃疡性结肠炎 脾虚湿蕴证 用药规律 网络药理学 

分 类 号：R259[医药卫生—中西医结合]