基于网络药理学和分子对接探索春泽汤治疗射血分数保留的心力衰竭的作用机制  

Exploration of the Mechanism of Chunze Decoction in Treating HFpEF Based on Network Pharmacology and Molecular Docking

作　　者：莫思琪 阳坤袁 秦亚录 庄光彤[2] MO Siqi;YANG Kunyuan;QIN Yalu;ZHUANG Guangtong(Clinical Medical College of Chengdu University of Traditional Chinese Medicine,Chengdu 610075,Sichuan,China;Affiliated Hospital of Chengdu University of Traditional Chinese Medicine,Chengdu Pidu District Hospital of Traditional Chinese Medicine,Chengdu 611730,Sichuan,China)

机构地区：[1]成都中医药大学临床医学院,成都610075 [2]成都中医药大学附属第三医院/成都市郫都区中医医院,成都611730

出　　处：《中西医结合心脑血管病杂志》2025年第8期1137-1146,共10页Chinese Journal of Integrative Medicine on Cardio-Cerebrovascular Disease

基　　金：四川省中医药管理局项目(No.2023MS046);四川省医学会医学科研青年创新课题(No.Q21091);成都市卫生健康委科研项目(No.2021259)。

摘　　要：目的:基于网络药理学方法探究春泽汤治疗射血分数保留的心力衰竭(HFpEF)的作用机制。方法:从中药系统药理学数据库与分析平台(TCMSP)检索春泽汤方各中药的有效成分和靶点信息,从GeneCard、OMIM、Disgenet基因数据库中搜索HFpEF的相关靶点,取药物和疾病的共同靶点的交集,通过Cytoscape 3.9.1软件构建“中药-成分-靶点”相互作用网络,通过STRING数据库获得蛋白质-蛋白质相互作用网络,从中得到春泽汤的核心成分和春泽汤治疗HFpEF的核心作用靶点。再通过Metascape数据库获得基因本体论(GO)和京都基因和基因组百科全书(KEGG)通路富集分析数据。最后,对核心成分和靶点进行模拟分子对接,验证其结合的可能性。结果:春泽汤中包含58个有效成分,84个作用靶点。HFpEF相关靶点2807个,靶点交集55个。春泽汤核心成分为β-谷甾醇(beta-sitosterol)和木犀草素(luteolin),春泽汤治疗HFpEF核心靶点为蛋白激酶B(AKT1)、肿瘤坏死因子(TNF)、胱天蛋白酶3(CASP3)、白细胞介素(IL)6、TP53。富集分析表明,春泽汤影响HFpEF主要涉及脂质和动脉粥样硬化信号通路、癌症信号通路、激素反应等途径。分子对接表明,核心成分与核心靶点之间具有良好的结合可能性。结论:春泽汤通过多成分、多靶点对HFpEF产生作用,春泽汤的有效成分β-谷甾醇和木犀草素通过多途径、多通路、多靶点影响人体神经体液调节和细胞生长分化凋亡、慢性炎症及氧化应激等过程对AKT1、TNF、CASP3、IL6、TP53起调节作用可能是春泽汤治疗HFpEF的作用机制。Objective:To explore the mechanism of Chunze Decoction in treating heart failure with ejection fraction retention based on network pharmacology.Methods:The active ingredients and target information of each traditional Chinese medicine in Chunze Decoction were searched from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)database,and the related targets of HFpEF were searched from GeneCard,OMIM,and Disgenet gene database,and the intersection of common targets of drugs and diseases was obtained.The"TCM-component-target"interaction network was constructed by Cytoscape3.9.1 software,and the protein-protein interaction network was obtained by STRING database,from which the core components of Chunze Decoction and the core action targets of Chunze Decoction in the treatment of HFpEF were obtained.The gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis data were obtained through the Metascape database.Finally,the core components and the target were simulated by molecular docking to verify the possibility of their combination.Results:There were 58 active components and 84 targets in Chunze Decoction.There were 2807 targets associated with HFpEF and 55 target intersections.The core components of Chunze Decoction were beta-sitosterol and luteolin,and the core targets of Chunze Decoction for HFpEF treatment were protein kinase B(AKT1),tumor necrosis factor(TNF),Caspase 3(CASP3),interleukin(IL)6,and TP53.Enrichment analysis showed that Chunze Decoction affected HFpEF mainly involved lipid and atherosclerotic signaling pathway,cancer signaling pathway,hormone response,and other pathways.Molecular docking indicated that there was better binding possibility between core components and core targets.Conclusion:Chunze Decoction can act on HFpEF through multiple components and multiple targets.The active components of Chunze Decoction,β-sitosterol and luteolin,can regulate AKT1,TNF,CASP3,IL6,and TP53 through multiple pathways,multiple pathways,and mult

关 键 词：射血分数保留的心力衰竭 春泽汤 分子机制 网络药理学 分子对接 

分 类 号：R285[医药卫生—中药学]