重庆工商大学学报（自然科学版）2024，Vol.41Issue(3)：33-42,10.DOI:10.16055/j.issn.1672-058X.2024.0003.005
基于网络药理学与GC-MS探讨竹叶花椒挥发油干预高脂血症的作用机制
Investigation of the Mechanism of Volatile Oil from Zanthoxylum Armatum DC.in Intervening Hyperlipidemia Based on Network Pharmacology and GC-MS
摘要
Abstract
Objective Based on gas chromatography-mass spectrometry(GC-MS)combined with network pharmacology methods,this study explored the active ingredients and mechanisms of the volatile oil from Zanthoxylum armatum DC.in intervening hyperlipidemia,providing a theoretical basis for the research on functional components in the volatile oil from Zanthoxylum armatum DC.and its intervention mechanism in hyperlipidemia.Methods Initially,the chemical components of the volatile oil from Zanthoxylum armatum DC.were identified by GC-MS,and then the corresponding targets of the chemical components and the disease targets of hyperlipidemia were obtained through databases.The key targets of the volatile oil from Zanthoxylum armatum DC.in intervening hyperlipidemia were obtained through Venn diagram,protein-protein interaction analysis,GO analysis,KEGG metabolic pathway enrichment analysis,and construction of the"target-pathway-active ingredient"network.Finally,the molecular docking software AutoDock was used to validate the semi-flexible docking of the main active compounds from the volatile oil from Zanthoxylum armatum DC.with the key targets.Results 29 chemical components were identified in the volatile oil from Zanthoxylum armatum DC.,obtaining 37 core targets for intervening hyperlipidemia,which are involved in cellular responses to lipids,lipid localization regulation,and responses to lipopolysaccharides.Through KEGG enrichment analysis and the"target-pathway-active ingredient"network,28 key targets including PPARA,RXRA,TNF,NR1H3,PPARG,and IL-6,as well as 7 main active ingredients such as farnesol,linoleic acid,and a-caryophyllene were obtained.The molecular docking results showed that the key targets had good binding abilities with the main active ingredients,with binding energies all less than-7.0 kJ/mol.Conclusion Various functional components in the volatile oil from Zanthoxylum armatum DC.may intervene hyperlipidemia by acting on key targets such as PPARA,RXRA,TNF,NR1H3,PPARG,and IL-6.This study explores the mechanism of the volatile oil from Zanthoxylum armatum DC.in intervening hyperlipidemia,aiming to provide theoretical support for further research on the functional components in the volatile oil from Zanthoxylum armatum DC.关键词
竹叶花椒挥发油/网络药理学/气相色谱-质谱联用/高脂血症Key words
volatile oil from Zanthoxylum armatum DC./network pharmacology/gas chromatography-mass spectrometry/hyperlipidemia分类
轻工纺织引用本文复制引用
唐宇恒,陈琦,江友娅,高雪..基于网络药理学与GC-MS探讨竹叶花椒挥发油干预高脂血症的作用机制[J].重庆工商大学学报（自然科学版）,2024,41(3):33-42,10.基金项目
重庆工商大学科学研究项目(2152005). （2152005）
