河南中医2023，Vol.43Issue(12)：1790-1799,10.DOI:10.16367/j.issn.1003-5028.2023.12.0345
基于网络药理学和分子对接探讨桂枝汤治疗动脉粥样硬化的作用机制
Study on the Action Mechanism of Cinnamon Twig Decoction in the Treatment of Atherosclerosis Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective:To study the molecular mechanism of Cinnamon Twig Decoction in the treatment of atherosclerosis(AS)by using network pharmacology and molecular docking.Methods:The active ingredients and related targets of Cinnamon Twig Decoction were ob-tained through the traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP),and the"Cinnamon Twig Decoction-active ingredients-targets"network was constructed by Cytoscape3.9.1 and the key active ingredients of Cinnamon Twig Decoction in the treatment of AS were screened by topological analysis.AS disease targets were screened by GeneCards,DisGeNET and DrugBank databases.The related targets of Chinese drugs'active ingredients and disease targets were imported into Venny 2.1.0 soft-ware to obtain the intersection targets,which were the potential targets of Cinnamon Twig Decoction in the treatment of AS.The potential targets were imported into STRING 11.0 database to construct protein-protein interaction(PPI)network and the core targets were screened by topological analysis.The gene ontology(GO)enrichment analysis and Kyoto encyclopedia of genes and genomes(KEGG)signal pathway enrichment analysis of the potential targets were performed by R software.AutoDock_Vina software was used to dock the key active ingredients and core targets.Results:A total of 146 active ingredients and 240 related targets were obtained based on TCM-SP,and quercetin,β-sitosterol,kaempferol,soya-lecithol,β-carotene were screened as the key active ingredients of Cinnamon Twig De-coction for the treatment of AS by network topology analysis of"Cinnamon Twig Decoction-active ingredients-targets.And 333 AS-relat-ed targets were screened by GeneCards,DisGeNET,DrugBank databases.A total of 62 potential targets of Cinnamon Twig Decoction for the treatment of AS were obtained by Venny 2.1.0,and 9 core targets were obtained by PPI network topology analysis,including matrix metalloproteinase-9(MMP-9),prostaglandin-endoperoxide synthase 2(PTGS2),intercellular adhesion molecule-1(ICAM-1).GO enrichment analysis obtained 1 595 entries,including 91 entries of molecular function,31 entries of cell component,and 1 473 en-tries of biological process.KEGG enrichment analysis obtained 119 pathways.Molecular docking results showed that quercetin had the highest binding activity with MMP-9.Conclusion:The mechanism of action of Cinnamon Twig Decoction for the treatment of AS is complex,mainly through the actions of active ingredients such as quercetin,β-sitosterol,kaempferol on MMP-9,PTGS2 and other tar-gets to regulate lipid and atherosclerosis,fluid shear stress and atherosclerosis and other pathways.关键词
桂枝汤/动脉粥样硬化/网络药理学/分子对接/调和营卫/《伤寒论》/张仲景Key words
Cinnamon Twig Decoction/atherosclerosis(AS)/network pharmacology/molecular docking/regulating nutrient and defense qi/Treatise on Cold Damage Diseases/Zhang Zhongjing分类
医药卫生引用本文复制引用
房慧琴,王佳宁,刘永吉,刘泳,赵军绩,臧运华..基于网络药理学和分子对接探讨桂枝汤治疗动脉粥样硬化的作用机制[J].河南中医,2023,43(12):1790-1799,10.基金项目
山东省中医药科技发展计划项目(20190605) （20190605）
青岛市医药科研指导计划项目(2020WJZD226) （2020WJZD226）
