天津中医药2024，Vol.41Issue(5)：659-667,9.DOI:10.11656/j.issn.1672-1519.2024.05.19
基于GC-MS和生物信息学研究丁香挥发油"启郁开闭"防治银屑病的成分及机制
Composition and mechanism of Caryophylli Flos volatile oil against psoriasis based on GC-MS and bioinformatics
摘要
Abstract
[Objective]The components of Caryophylli Flos volatile oil were identified by GC-MS,and its possible mechanism of action was predicted by network pharmacology.[Methods]After the components were analyzed by GC-MS,the active ingredients were screened using SwissADME platform,and the disease-related targets of these active ingredients were obtained through Swiss and GeneCards databases,and then the compound-target network was constructed by Cytoscape software.String platform and Cytoscape software were used to construct the target PPI network to screen the key targets,and the core targets were imported into DAVID database to complete GO and KEGG analysis,and finally AutoDock software was used for molecular docking verification.[Results]A total of 10 major components were identified from the volatile oil of Caryophylli Flos,and all of them met the"five principles of drug-like".The hub genes such as AKT1,TNF,MAPK3,VEGFA,SRC,and CASP3 were predicted,and external validation results showed differences in the expression of all six hub genes,TNF had diagnostic value.Enrichment analysis yielded 117 biological processes and 114 signaling pathways.Molecular docking experiments showed that most of the active ingredients have good binding ability with their key targets.[Conclusion]Caryophylli Flos volatile oil may regulate signaling,protein phosphorylation and cell differentiation through its active ingredients such as eugenol and key targets such as AKT1,thus synergistically exerting its effects against psoriasis.关键词
丁香/挥发油/银屑病/活性成分/作用机制/GC-MS/生物信息学Key words
Caryophylli Flos/volatile oil/psoriasis/active ingredient/mechanism of action/GC-MS/bioinformatics分类
医药卫生引用本文复制引用
刘国鑫,于佳欣,张向阳,刘贺,王炎松,沈景辉,李淑贤..基于GC-MS和生物信息学研究丁香挥发油"启郁开闭"防治银屑病的成分及机制[J].天津中医药,2024,41(5):659-667,9.基金项目
黑龙江省北药与功能食品特色学科建设项目(HLJTSXK-2022-03). （HLJTSXK-2022-03）
