基于数据挖掘与网络药理学分析中医药治疗双心病用药规律及作用机制  

Exploring Medication Rules and Mechanism of Action of Chinese Medicine in Treating Psychocardiological Disease Based on Data Mining and Network Pharmacology

作　　者：张泓 杨贵元 赵永 林凯旋 ZHANG Hong;YANG Guiyuan;ZHAO Yong;LIN Kaixuan(Department of Internal Medicine I,Zhongshan Hospital of Chinese Medicine Affiliated to Guangzhou University of Chinese Medicine,Zhongshan Guangdong 528400,China)

机构地区：[1]广州中医药大学附属中山中医院内一科,广东中山528400

出　　处：《新中医》2025年第5期20-29,共10页New Chinese Medicine

基　　金：中山市科学技术局课题(2020B1126)。

摘　　要：目的:基于数据挖掘与网络药理学分析中医药治疗双心病的用药规律及作用机制。方法:检索自建库至2023年12月中国知网、万方数据库、维普数据库收录的中药复方治疗双心病临床研究文献,建立文献数据库,使用Excel 2021、IBM SPSS Modeler 18.0、SPSS IBM SPSS Statistics 27.0.1等软件对其进行中药频数、关联规则和聚类分析,应用网络药理学方法研究核心药对柴胡-郁金-甘草治疗双心病的关键靶点,构建蛋白质-蛋白质相互作用(PPI)网络,并进行基因本体(GO)和基因组百科全书(KEGG)通路富集分析;利用AutoDockTools 1.5.7和PyMol 2.6.0进行分子对接验证及可视化处理。结果:共纳入中药复方155首,涉及中药126味,高频药物19味,其中甘草、柴胡、丹参、郁金、川芎使用频次较多;功效分类以补虚药、理气药、活血化瘀药最为常见;药味以甘、苦、平为主,药性以温为主,多归肝、心经;关联规则分析得到15种关联强度高的药物组合;聚类分析得到4种药物组合。核心药对柴胡-郁金-甘草对治疗双心病有191个关键靶点,206条重要通路。AKT1、TNF、IL-6、TP53、IL-1β等为核心靶点,脂质和动脉粥样硬化、PI3K-Akt信号通路、神经退行性变的途径-多种疾病等为主要通路。分子对接结果显示核心成分与靶点之间结合良好。结论:中医治疗双心病以疏肝解郁为主,用药多以活血化瘀药、理气药、补虚药相配伍运用,核心药对柴胡-郁金-甘草具有多成分、多靶点、多通路的治疗特点,主要通过抗炎、抗氧化凋亡、保护心脑细胞等机制来发挥对双心病的治疗作用。Objective:To explore the medication rules and mechanisms of Chinese medicine in treating psychocardiological disease based on data mining and network pharmacology.Methods:Clinical research literatures on Chinese medicine prescriptions for psychocardiological disease published in CNKI,Wanfang Database,and VIP Database from the database establishment day to December 2023 were retrieved.A literature database was established,and Excel 2021,IBM SPSS Modeler 18.0,and IBM SPSS Statistics 27.0.1 were used for frequency analysis,association rule mining,and cluster analysis of the Chinese herbs.Network pharmacology was applied to investigate the key targets of the core herbal combination,Bupleuri Radix-Curcumae Radix-Glycyrrhizae Radix et Rhizoma,in treating psychocardiological disease.A protein-protein interaction(PPI)network was constructed,and Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analyses were performed.AutoDockTools 1.5.7 and PyMol 2.6.0 were utilized for molecular docking verification and visualization.Results:A total of 155 Chinese medicine prescriptions involving 126 Chinese herbs were included,with 19 high-frequency herbs.Among them,Glycyrrhizae Radix et Rhizoma,Bupleuri Radix,Salviae Miltiorrhizae Radix et Rhizoma,Curcumae Radix,and Chuanxiong Rhizoma were most frequently used.The Chinese herbs were primarily classified as deficiencysupplementing herbs,qi-regulating herbs,and blood-invigorating and stasis-resolving herbs.The herbal flavors were mainly sweet,bitter,and neutral,with warm nature being dominant,and they mainly entry the liver and heart channels.Association rule analysis yielded 15 herbal combinations with high association strength.Cluster analysis identified four herbal combinations.The core herb combination,Bupleuri Radix-Curcumae Radix-Glycyrrhizae Radix et Rhizoma,had 191 key targets and 206 important pathways for the treatment of psychocardiological disease.AKT1,TNF,IL-6,TP53,and IL-1βwere core targets,and pathways such as lipid and atherosclerosis,

关 键 词：双心病 中医药 数据挖掘 网络药理学 用药规律 

分 类 号：R259[医药卫生—中西医结合]