摘要
目的:运用网络药理学和分子对接技术探析养心活血通脉汤治疗稳定性冠心病的作用机制。方法:应用TCMSP、Herb、TCMID平台检索养心活血通脉汤成分及作用靶点;经GeneCards、OMIM、DisGeNET平台获取稳定性冠心病靶点;运用Cytoscape 3.9.1建立“药物-活性成分-靶点”网络及蛋白质-蛋白质相互作用(PPI)网络,筛选核心靶点。由Metascape平台进行基因本体(GO)功能和京都基因与基因组百科全书(KEGG)通路富集分析。利用Auto Dock Tools软件进行有效成分与和核心靶点分子对接。结果:养心活血通脉汤治疗稳定性冠心病主要成分为槲皮素、山柰酚、β-谷甾醇、芒柄花黄素、黄芩素、丹参酮ⅡA,关键靶点为肿瘤坏死因子(TNF)、白细胞介素-6(IL-6)、丝氨酸/苏氨酸激酶1(AKT1)、白细胞介素-1β(IL-1β)、血管内皮生长因子(VEGFA),关键通路为脂质和动脉粥样硬化(Lipid and atherosclerosis)、磷脂酰肌醇3激酶-丝氨酸/苏氨酸蛋白激酶1信号通路(PI3K-Akt信号通路)、肿瘤坏死因子信号通路(TNF信号通路)、丝裂原活化蛋白激酶信号通路(MAPK信号通路)、糖基化终产物/受体信号通路(AGE-RAGE信号通路)等。分子对接结果显示各有效成分与各核心靶点结合活性较好。结论:养心活血通脉汤治疗稳定性冠心病作用机制主要为降脂、抗动脉粥样硬化、抗炎、抗心肌损伤。
Objective:To investigate the mechanism of action of Yangxin Huoxue Tongmai decoction in the treatment of stable coronary heart disease based on network pharmacology and molecular docking techniques.Methods:TCMSP,Herb,and TCMID platforms were used to obtain the components of Yangxin Huoxue Tongmai decoction and their action targets;GeneCards,OMIM,and DisGeNET platforms were used to obtain the targets of stable coronary heart disease;Cytoscape 3.9.1 was used to establish a drug-active component-target network and a protein-protein interaction network,and core targets were obtained.Metascape platform was used to perform the gene ontology functional enrichment analysis and the Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis.Auto Dock Tools was used to perform molecular docking between effective constituents and core targets.Results:The main components of Yangxin Huoxue Tongmai decoction in the treatment of stable coronary heart disease were quercetin,kaempferol,beta-sitosterol,formononetin,baicalein,and tanshinone IIA;the key targets were tumor necrosis factor,interleukin-6,AKT1,interleukin-1β,and vascular endothelial growth factor A;the key pathways included lipid and atherosclerosis,the PI3K-Akt signaling pathway,the tumor necrosis factor signaling pathway,the MAPK signaling pathway,and the AGE-RAGE signaling pathway.Molecular docking showed that each effective constituent had a good binding activity to each core target.Conclusion:Antihyperlipidemic,anti-atherosclerotic,anti-inflammatory,and anti-myocardial injury effects are main mechanisms of action of Yangxin Huoxue Tongmai decoction in the treatment of stable coronary heart disease.
作者
张媛
喻正科
陈志红
赵启
马悦
鲜君
ZHANG Yuan;YU Zhengke;CHEN Zhihong;ZHAO Qi;MA Yue;XIAN Jun(Hunan University of Chinese Medicine,Changsha 410208,Hunan,China;Hunan Provincial Hospital of Integrated Traditional Chinese and Western Medicine,Changsha 410006,Hunan,China)
出处
《湖南中医杂志》
2023年第11期164-173,共10页
Hunan Journal of Traditional Chinese Medicine
基金
湖南省卫生健康委重点项目(c202319018666)。
关键词
稳定性冠心病
养心活血通脉汤
作用机制
网络药理学
分子对接
stable coronary heart disease
Yangxin Huoxue Tongmai decoction
mechanism of action
network pharmacology
molecular docking
