基于网络药理学和分子对接探究绞股蓝抗高脂血症的作用机制  

Study on the Mechanism of Gynostemma pentaphyllum against Hyperlipidemia Based on the Network Pharmacology and Molecular Docking

作　　者：年霞 宋延平[2] 韩曼 赵林涛[2] NIAN Xia;SONG Yanping;HAN Man;ZHAO Lintao(School of pharmacy,Shaanxi University of traditional Chinese medicine,Xianyang 712046,China;Shaanxi Institute of traditional Chinese medicine,Xi'an 710003,China)

机构地区：[1]陕西中医药大学药学院,陕西咸阳712046 [2]陕西省中医药研究院,陕西西安710003

出　　处：《特产研究》2023年第2期26-34,共9页Special Wild Economic Animal and Plant Research

摘　　要：基于网络药理学和分子对接技术探讨绞股蓝防治高脂血症(Hyperlipidaemia,HLP)的可能机制。利用TCMSP数据库搜集绞股蓝的主要活性成分及作用靶点,选定DrugBank数据库、TTD数据库和GeneCards数据库筛选高脂血症有关基因,选取的交集靶点导入String构建蛋白互作,并对结果数据导入Cytoscape 3.8.2进行可视化。应用Metascape数据库,对交集基因进行GO富集和KEGG通路富集分析,最后对关键活性成分和关键蛋白进行分子对接验证。筛选绞股蓝中槲皮素、山柰酚、豆甾醇和绞股蓝皂苷等27个有效成分,预测治疗高脂血症的相关靶点109个,GO功能富集和KEGG通路富集结果显示,绞股蓝治疗高脂血症作用机制主要涉及细胞对激素、无机物和脂多糖应答等生物过程,并通过脂质与动脉硬化、AGE-RAGE信号通路和胰岛素抵抗等多条通路共同发挥作用;分子对接结果也进一步表明,潜在活性成分和RELA、TNF、AKT1、TP53等关键靶蛋白均具有较好的亲和作用。绞股蓝治疗高脂血症的特点符合多成分、多靶点和多通路的中药复方作用机理,可为绞股蓝治疗高脂血症的进一步研究提供理论基础。Based on the network pharmacology and molecular docking technology to explore the main components and possible mechanisms of Gynostemma pentaphyllum for preventing and treating hyperlipidemia(HLP)the tcmsp database was used to collect the main active components and action targets of G.pentaphyllum,and the drugbank database,TTD database and genecards database were selected to screen the genes related to hyperlipidemia.The selected intersection targets were used to construct protein interactions using string,and were visualized using Cytoscape 3.8.2 to construct a network diagram.Using metascape database,go enrichment and KEGG pathway enrichment analysis were performed on the intersection genes.Finally,the molecular docking of key active components and key proteins was verified.27 effective components such as quercetin,kaempferol,stigmasterol and gynostemma saponin were screened out,and 109 related targets for the treatment of hyperlipidemia were predicted.The results of Go function enrichment and KEGG pathway enrichment showed that the mechanism of G.pentaphyllum in the treatment of hyperlipidemia mainly involved biological processes such as cell response to hormones,inorganic substances and lipopolysaccharide,and through lipid and arteriosclerosis,AGE-RAGE signaling pathway Insulin resistance and other multiple pathways play a role together;The molecular docking results also further showed that the potential active ingredients had good affinity with key target proteins such as rela,TNF,AKT1 and TP53.The characteristics of G.pentaph;yllum in the treatment ofhyper-lipidemia are multi-component,multi-target and multi-channel,which could provide a theoretical basis for the further study of G.pentaphyllum in the treatment of hyperlipidemia.

关 键 词：绞股蓝 高脂血症 网络药理学 靶点预测 信号通路 

分 类 号：R285[医药卫生—中药学]