湖北农业科学 ›› 2022, Vol. 61 ›› Issue (18): 113-119.doi: 10.14088/j.cnki.issn0439-8114.2022.18.020

• 园艺·特产 • 上一篇    下一篇

基于GC-MS和网络药理学探讨当归-肉桂药对的抗炎作用机制

曾格格, 刘毅, 刘天琪, 黄振阳, 丁晨薇   

  1. 湖北中医药大学药学院/湖北省药用植物研发中心, 武汉 430065
  • 收稿日期:2022-01-08 出版日期:2022-09-25 发布日期:2022-10-21
  • 通讯作者: 刘 毅(1980-),副教授,硕士研究生导师,博士,主要从事中药及其天然产物活性成分研究,(电话)027-68890101(电子信箱)2900471529@qq.com。
  • 作者简介:曾格格(1999-),女,湖北荆州人,在读硕士研究生,研究方向为中药及其天然产物活性成分,(电话)15071048553(电子信箱)2621897904@qq.com。

Exploring the anti-inflammatory mechanism of Angelica sinensis Radix- Cinnamomi cortex based on GC-MS and network pharmacology

ZENG Ge-ge, LIU Yi, LIU Tian-qi, HUANG Zhen-yang, DING Chen-wei   

  1. School of Pharmacy/Research and Development Center of Medicinal Plant in Hubei Province, Hubei University of Chinese Medicine, Wuhan 430065, China
  • Received:2022-01-08 Online:2022-09-25 Published:2022-10-21

摘要: 对当归(Angelica sinensis Radix)-肉桂(Cinnamomi cortex)药对化学成分进行鉴定,并结合网络药理学预测其抗炎作用机制。采用GC-MS(气相色谱-质谱)分析当归、肉桂混合物挥发性成分,再通过TCMSP数据库和Swiss Target Prediction数据库预测其活性成分的潜在靶点;通过TTD数据库、GeneCards数据库得到炎症相关基因靶点;利用Cytoscape 3.7.2软件构建药物-成分-靶点网络图;采用String平台、Cytoscape 3.7.2软件构建靶点PPI网络,并筛选出关键靶点;采用R 3.6.1软件中的Clsuter Profiler程序包对潜在作用靶点进行基因本体(GO)功能富集及KEGG通路富集分析。结果表明,从当归-肉桂药对中鉴定出35种挥发性成分,占总挥发性成分的70.53%。并从中筛选得到33个活性化合物、35个关键靶点、1 296个生物过程、155条信号通路。根据网络药理学结果预测表明,当归-肉桂药对可能通过β-石竹烯、α-律草烯、α-蒎烯等活性成分及TNF、IL-6、IL-1β等关键靶点来调控脂质和动脉粥样硬化、人巨细胞病毒感染、IL-17等多个信号通路,从而协同发挥抗炎作用。

关键词: 当归(Angelica sinensis Radix), 肉桂(Cinnamomi cortex), 炎症, GC-MS, 网络药理学

Abstract: The chemical components of Angelica sinensis Radix- Cinnamomi cortex was identified, and the anti-inflammatory mechanism of the herb pair was predicted in combination with network pharmacology. GC-MS was used to analyze the volatile components of the herb pair, and then the potential targets of the active components were predicted through the TCMSP database and the Swiss Target Prediction database; inflammation-related gene targets were got through TTD database and GeneCards database; Cytoscape 3.7.2 software was used to construct a drugs-components-targets network diagram; string database and Cytoscape 3.7.2 software were adopted to build a target PPI network, then screening out key targets; the Clsuter Profiler program package in R 3.6.1 software was used to perform gene ontology (GO) function enrichment and KEGG pathway enrichment analysis for potential targets. The results showed that 35 kinds of volatile components were identified from the herb pair, accounting for 70.53% of the total volatile components. From the screening, 33 active compounds, 35 key targets, 1 296 biological processes, and 155 signal pathways were obtained. According to the prediction of network pharmacology results, the herb pair may regulate lipids and atherosclerosis, human cytomegalovirus infection, IL-17 and other signaling pathways through active ingredients such as β-caryophyllene, α-humulene, and α-pinene, and key targets such as TNF-, IL-6, and IL-1B, thereby synergistically exerting anti-inflammatory effects.

Key words: Angelica sinensis Radix, Cinnamomi cortex, inflammation, GC-MS(Gas Chromatography-Mass spectrometer), network pharmacology

中图分类号: