茱萸圆方治疗动脉粥样硬化和高脂血症的网络药理机制探析

Based on network pharmacology and molecular docking to explore the mechanism of Zhuyuyuanfang on atherosclerosis and hyperlipidemia

目的建立茱萸圆方单味药-成分-共有靶点网络、蛋白相互作用网络,揭示本方“异病同治”动脉粥样硬化和高脂血症的共同作用机制。方法通过TCMSP数据库筛选茱萸圆方的活性化合物和作用靶点,结合TTD、OMIM、Disgenet、Drugbank、Gencards数据库获取茱萸圆方治疗动脉粥样硬化和高脂血症的作用靶点。采用Cytoscape3.8.0绘制药物-成分-共有靶点网络和Metascape工具对茱萸圆方治疗动脉粥样硬化和高脂血症的共有靶点进行GO功能富集分析和KEGG通路富集分析,然后通过AutoTools软件进行分子对接验证。结果最终获得茱萸圆方活性化合物44个,疾病靶点1769个,活性化合物-疾病交集靶点57个;茱萸圆方主要作用于AGE-RAGE、TNF、HIF-1以及Th17等信号通路,其中涉及免疫炎症、神经内分泌、细胞增殖与凋亡等过程。结论茱萸圆方治疗动脉粥样硬化和高脂血症共病的作用机制涉及改善慢性炎症,抗氧化,抑制血管壁增生等调节过程,通过分子对接与网络药理的剖析可为其降脂、抗动脉粥样硬化的药理机制提供充分、可靠的理论依据。

Objective To establish Zhuyuyuanfang's single-drug-component-shared target network and protein interaction network,and to reveal the common mechanism of"different diseases and same treatment"of atherosclerosis and hyperlipidemia.Methods The active compounds and targets of Zhuyuyuanfang were screened through TCMSP database,and the targets of Zhuyuyuanfang in treating atherosclerosis and hyperlipidemia were obtained by combining TTD,OMIM,Disgenet,Drugbank and Gencards databases.Using Cytoscape3.8.0 to draw the drug-component-shared target network and Metascape tool to perform GO function enrichment analysis and KEGG pathway enrichment analysis on the common targets of Zhuyuyuanfang for atherosclerosis and hyperlipidemia,and then through AutoTools The software performs molecular docking verification.Results In the end,44 active compounds of Zhuyuyuanfang,1769 disease targets,57 active compound-disease targets were obtained;Zhuyuyuanfang mainly acts on AGE-RAGE,TNF,HIF-1 and Th17 signaling pathways,among which Involves processes such as immune inflammation,neuroendocrine,cell proliferation and apoptosis.Conclusion The mechanism of Zhuyuyuanfang's treatment of atherosclerosis and hyperlipidemia comorbidity involves the improvement of chronic inflammation,anti-oxidation,inhibition of vascular wall hyperplasia and other regulatory processes.Through molecular docking and network pharmacological analysis,it can reduce its lipid The pharmacological mechanism of anti-atherosclerosis provides a sufficient and reliable theoretical basis.