基于网络药理学和分子对接技术探讨山楂改善高脂血症的可能机制

Study on Crataegi Fructus in attenuating hyperlipidemia based on network pharmacology and molecular docking technology

本研究基于网络药理学和分子对接技术探讨药食同源食品山楂改善高脂血症的可能机制。借助ETCM、HIT等数据库及文献挖掘得到山楂的活性成分及潜在靶点。随后将山楂改善高脂血症的潜在靶点进行PPI蛋白互作分析以及KEGG富集分析,最后将关键活性成分与核心靶点进行分子对接。结果显示,山楂改善高脂血症的5种关键活性成分为亚油酸、亚麻酸、山楂酸、山奈酚、槲皮素,5个核心靶点为AKT1、RXRA、EGFR、AR、RXRB,可能通过作用于PPAR、甲状腺激素、AMPK、IL-17、AGE-RAGE等信号通路改善高脂血症。分子对接结果显示,核心靶点与关键活性成分之间具有较好的结合活性。研究初步验证了山楂可改善高脂血症并揭示了其可能机制,为进一步探究山楂改善高脂血症的机理提供了研究方向,同时也为研发山楂降血脂类保健食品提供了理论支撑。

Based on network pharmacology and molecular docking technology,this study explored possible mechanism of Crataegi Fructus,a homologous food of medicine and food,in attenuating hyperlipidemia.Based ETCM,HIT and other databases and literature mining,the active components and corresponding potential targets of Crataegi Fructus were obtained.The potential targets of Crataegi Fructus to attenuate hyperlipidemia were analyzed for PPI protein interaction analysis and KEGG enrichment analysis.Finally,the active components were docked with the core targets.The result showed that the five key active components of Crataegi Fructus to attenuate hyperlipidemia were linoleic acid,linolenic acid,Crategolic acid,kaempferol and quercetin.The five core targets were AKT1,RXRA,EGFR,AR and RXRB,which may attenuate hyperlipidemia by acting on PPAR signaling pathway,thyroid hormone signaling pathway,AMPK signaling pathway,IL-17 signaling pathway and AGE-RAGE signaling pathway.The results of molecular docking showed that the core targets had binding activity with the key active components.The study preliminarily verified the efficacy and possible mechanism of Crataegi Fructus in attenuating hyperlipidemia,which provided a research direction for further exploring the mechanism of Crataegi Fructus in attenuating hyperlipidemia.At the same time,it also provided theoretical support for the development of lipidlowering Crataegi Fructus functional food.