摘要
目的基于网络药理学及分子对接探寻加味柴胡桂枝汤治疗冠心病伴焦虑抑郁的作用机制。方法利用TCMSP、ETCM、BATMAN-TCM数据库筛选加味柴胡桂枝汤的药物活性成分及对应靶点,GeneCards、DisGeNet、OMIM、TTD数据库筛选冠心病、焦虑、抑郁疾病靶点,EVenn平台交互映射得到药物-疾病交集靶点,利用Cytoscape软件构建药物-活性成分-核心靶点-疾病互作网络,交集靶点导入STRING数据库获取PPI网络并进行网络拓扑分析,Metascape平台进行GO、KEGG富集分析,微生信平台可视化处理;分别选取排名前5位药物靶点及交集靶点于CB-DOCK2平台进行分子对接并绘制热图。结果共得到加味柴胡桂枝汤活性成分296个,排名前10位的活性成分依次是槲皮素、山柰酚、豆甾醇、木犀草素、异鼠李素、黄芩素、5-甲基-7-甲氧基异黄酮、芒柄花黄素、乌药碱、毛蕊异黄酮,对应唯一靶点225个;共得到冠心病、焦虑、抑郁疾病交集靶点3465个,经EVenn平台分析得到药物-疾病交集靶点157个,前10位的靶点包括VEGFA、ALB、CASP3、Akt1、JUN、IL-6、IL-1β、PTGS2、MMP-9、EGF。GO分析共得到2214个条目,其中生物学过程1897条,细胞成分117条,分子功能200条。KEGG富集分析共得到信号通路205个,主要涉及脂质与动脉粥样硬化、PI3K-Akt信号通路、核转录因子-κB(NF-κB)信号通路等。结论加味柴胡桂枝汤治疗冠心病伴焦虑抑郁的机制可能与调控脂质与动脉粥样硬化、PI3K-Akt信号通路、NF-κB信号通路等相关。
Objective:To explore the mechanism of action of modified Chaihu Guizhi Decoction in the treatment of coronary heart disease with anxiety and depression Based on network pharmacology and molecular docking.Methods:TCMSP,ETCM,and BATMAN-TCM databases were used to screen the active ingredients and corresponding targets of modified Chaihu Guizhi Decoction.Gene Cards,DisGeNet,OMIM,and TTD databases were used to screen targets for coronary heart disease,anxiety,and depression.The EVenn platform interactive mapping was used to obtain drug disease intersection targets.A drug active ingredient core target disease interaction network was constructed using Cytoscape software.The intersection targets were imported into the STRING database to obtain the PPI network and perform network topology analysis.The Metascape platform was utilized to conduct GO and KEGG enrichment analysis,and the Micro Bioinformatics platform was used to visualize processing;the top 5 drug targets and intersection targets were selected for molecular docking and to draw heat maps on the CBDOCK2 platform.Results:A total of 296 active ingredients were obtained from modified Chaihu Guizhi Decoction,and the top 10 active ingredients ranked in order were quercetin,kaempferol,stigmasterol,luteolin,isorhamnetin,baicalin,5-methyl-7-methoxyisoflavone,mangiferin,aconitine,and pistil isoflavone,corresponding to 225 unique targets.A total of 3465 intersection targets for coronary heart disease,anxiety,and depression were identified,and 157 drug disease intersection targets were identified through EVenn platform analysis.The top 10 targets include VEGFA,ALB,CASP3,Aktl,JUN,IL-6,IL-1β,PTGS2,MMP9,and EGF.GO analysis yielded a total of 2214 entries,including 1897 biological processes,117 cellular components,and 200 molecular functions.A total of 205 signal pathways were obtained by KEGG enrichment analysis,mainly involving lipid and atherosclerosis,PI3K-Akt signal pathway,NF-κB signal pathway,etc.Conclusion:The mechanism of modified Chaihu Guizhi Decoction in treating
作者
皇甫海全
隋雨桐
于海睿
商晓明
廖蔚茜
Huangfu Haiquan;Sui Yutong;Yu Hairui;Shang Xiaoming;Liao Weiqian(Shenzhen Hospital of Shanghai University of Traditional Chinese Medicine,Guangdong,Shenzhen 518004,China)
出处
《中国中医急症》
2024年第6期945-951,共7页
Journal of Emergency in Traditional Chinese Medicine
基金
国家自然科学基金项目(8210140330)
广东省中医药局中医药科研项目(20222197)
2023年罗湖区软科学研究计划项目(LX202302068,LX202302082)。
关键词
冠心病
焦虑抑郁
加味柴胡桂枝汤
网络药理学
分子对接
Coronary heart disease
Anxiety and depression
Modified Chaihu Guizhi Decoction
Network pharmacology
Molecular docking
