GC-MS结合网络药理学研究西藏灌木亚菊挥发油抗炎的有效成分和作用机制  

Exploration of effective components and mechanism of anti-inflammatory activity of volatile oil of Tibetan Ajania fruticulosa by GC-MS and network pharmacology

作　　者：贾淑雅 桂明安 屠倩文 李雨婷 次仁央珍 袁瑞瑛[1] JIA Shuya;GUI Mingan;TU Qianwen;LI Yuting;CIREN Yangzhen;YUAN Ruiying(School of Medicine,Tibet University,Lhasa,Tibet,850000 P.R.China)

机构地区：[1]西藏大学医学院,西藏拉萨850000

出　　处：《华西药学杂志》2023年第5期569-574,共6页West China Journal of Pharmaceutical Sciences

基　　金：国家自然科学基金资助项目(批准号:81967081);西藏自治区科技厅中央引导地方科技发展资金项目(XZ202301YD0016C);国家级大学生创新创业训练计划(202210694014)。

摘　　要：目的 采用GC-MS和网络药理学法研究西藏灌木亚菊Ajania fruticulosa(Ledeb.)Poljak.挥发油抗炎的有效成分和作用机制。方法 通过GC-MS技术和中药系统药理学数据库与分析平台(TCMSP)筛选灌木亚菊挥发油的活性成分及相关靶点;利用GeneCards、DisGeNET数据库检索炎症相关靶点,利用韦恩图获取共有靶点,并将信息导入Cytoscape 3.9.1软件和STRING在线分子平台,通过网络拓扑学分析,构建挥发油有效成分-炎症-交集靶点;基于关键靶点利用DAVID数据库进行KEGG通路富集分析。结果 结合气质分析和数据库筛选,得到灌木亚菊挥发油的关键成分9个,药物靶点165个,疾病靶点2759个,交集靶点105个。经蛋白互作网络拓扑分析,获取核心靶点10个,分别为EGFR、MAPK8、JAK1、RXRA、JAK2、JAK3、CASR、MAPK14、ESR1、PRKCD等;挥发油有效成分4个,包括cis-橙花叔醇、τ-依兰油醇、τ-毕橙茄醇、α-红没药醇等。KEGG富集基因通路29条,TRP通路、神经活性配体-受体相互作用通路及PPAR信号通路可能是灌木亚菊挥发油发挥抗炎作用的主要通路。结论 初步探讨了西藏灌木亚菊挥发油治疗炎症的有效成分和作用机制,表明灌木亚菊挥发性成分具多成分、多靶点抗炎的特点,提示灌木亚菊有作为天然抗炎剂的潜力。OBJECTIVE To study the effective components and mechanism of Tibetan Ajania fruticulosa(Lead.)Poljak.volatile oil against inflammation by GC-MS and network pharmacology.METHODS The active ingredients and related targets of A.fruticulosa volatile oil were screened by GC-MS technology,Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP);inflammation-related targets were retrieved from GeneCards and DisGeNET databases,common targets were obtained by Venn diagram,and the information was imported into Cytoscape 3.9.1 software and STRING online molecular platform to construct volatile oil effective components-inflammation-intersection targets.Enrichment analysis of GO and KEGG pathway was carried out based on key targets using DAVID database.RESULTS By combining mass spectrometry analysis and database screening,a total of 9 key components of A.fruticulosa volatile oil,165 drug targets,2759 disease targets,and 105 intersection targets were obtained.Through protein-protein interaction network topology analysis,10 core targets were obtained,namely EGFR,MAPK8,JAK1,RXRA,JAK2,JAK3,CASR,MAPK14,ESR1,and PRKCD,and 4 effective components of volatile oil were obtained,including cis-nerolidol,τ-muurolol,τ-cadinol andα-bisabolol.KEGG enriched 29 gene pathways,TRP pathway,neuroactive ligand-receptor interaction pathway and PPAR signaling pathway may be the main pathways for A.fruticulosa volatile oil to exert anti-inflammatory effects.CONCLUTION The effective components and mechanism of A.fruticulosa volatile oil in treating inflammation are preliminarily explored.It shows that the volatile components of A. fruticulosa have the characteristics of multi - component and multi - target anti - inflammatory effects,which indicates that A.fruticulosa has the potential to be used as a natural anti - inflammatory agent.

关 键 词：灌木亚菊 炎症 气质联用技术 网络药理学 cis-橙花叔醇 τ-依兰油醇 τ-毕橙茄醇 α-红没药醇 富集分析 拓扑分析 

分 类 号：R96[医药卫生—药理学]