首页|基于网络药理学和分子对接技术探究薰鲁香挥发油抗炎机制

基于网络药理学和分子对接技术探究薰鲁香挥发油抗炎机制

扫码查看
本研究基于网络药理学技术并结合细胞实验探究薰鲁香挥发油治疗炎症的关键靶点和作用机制.通过气相色谱-质谱联用技术、中药系统药理学(TCMSP)数据库和查阅文献获取薰鲁香挥发油的化学成分和相关靶点,构建"成分-靶点-通路"网络分析薰鲁香挥发油抗炎的潜在靶点和通路,并绘制蛋白质相互作用(PPI)网络.分子对接结果表明部分薰鲁香挥发油活性成分与核心靶点之间具有较强的结合活性,预测上述化合物为抗炎的物质基础.综合运用柱色谱及现代波谱技术,从薰鲁香挥发油中分离并鉴定2个量丰的单萜化合物6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane-2α,3β-diol和6,6-dimethyl-4-hydroxy[3.1.1]hept-2-ene-2-carboxylic acid,在LPS刺激细胞炎症模型中表现出与阳性对照地塞米松相当的活性.
Network Pharmacologic Analysis and Experimental Verification of Volatile Oil Components from Mastic in Treatment of Inflammatory
In this study,the key targets and mechanisms of Mastic gum oil(MGO)in the treatment of inflammation were explored based on network pharmacology and cell experiments.The chemical components and related targets of MGO were obtained by gas chromatography-mass spectrometry,traditional Chinese medicine system pharmacology(TCMSP)database and literature review,and the component-target-pathway network was constructed to analyze the potential targets and pathways of MGO anti-inflammation,and the protein-protein interaction(PPI)network was drawn.Two abundant monoterpenes,6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane-2α,3β-diol and 6,6-dimethyl-4-hydroxy[3.1.1]hept-2-ene-2-carboxylic acid were isolated and identified from MGO by column chromatography and modern spectroscopic techniques.It showed comparable activity to the positive control dexamethasone in the cell inflammation model stimulated by LPS.In this paper,the anti-inflammatory effect of MGO was studied based on network pharmacology and molecular docking technology,which provided theoretical support for clarifying the pharmacodynamic material basis and molecular mechanism of Mastic in clinical treatment of inflammation.

mastic gum oilnetwork pharmacologymolecular dockingmonoterpenoids

项文田、赵志强、田雪、王俊龙、刘伟

展开 >

伊犁师范大学化学化工学院,新疆生物质资源清洁转化与高值利用重点实验室,新疆伊宁 835000

网络药理学 分子对接 薰鲁香挥发油 单萜

国家自然科学基金项目2022年度伊犁师范大学提升学科综合实力专项项目

8206077422XKZZ08

2024

伊犁师范大学学报(自然科学版)
伊犁师范学院

伊犁师范大学学报(自然科学版)

影响因子:0.466
ISSN:2097-0522
年,卷(期):2024.18(3)