首页|基于液质联用技术与网络药理学的生姜质量标志物研究

基于液质联用技术与网络药理学的生姜质量标志物研究

扫码查看
原文链接
  • 万方数据
  • 维普
目的:基于超高效液相色谱-四极杆-飞行时间串联质谱(UPLC-Q-TOF-MS/MS)技术和网络药理学对生姜的质量标志物(Q-Marker)进行预测分析.方法:采用UPLC-Q-TOF-MS/MS技术在正、负离子模式下对生姜中化学成分进行定性分析;运用网络药理学分析生姜传统功效的现代药理作用机制从而初步探索生姜的Q-Marker,并利用分子对接技术验证活性成分与靶点蛋白的结合活性.结果:通过UPLC-Q-TOF-MS/MS技术共分析得到生姜中48种化学成分,筛选后得到活性成分33个,以这33个活性成分为Q-Marker候选成分做网络药理学分析,获得靶点基因508个,作用于157条信号通路,如磷脂酰肌醇3-激酶/蛋白激酶B(PI3K/AKT)信号通路、大鼠肉瘤蛋白(Ras)信号通路等.该实验初步探究了 8-姜酮(8-gingerone)、6-姜烯酚(6-shogaol)、8-姜酚(8-gingerol)、四氢姜黄素(Tetrahydrocurcumin)、1-脱氢-8-姜二酮(1-dehydro-8-ging-erdione)和(E)-4-(3,7-dimethylocta-2,6-dien-1-yl)-2-methoxy phenol等6个化合物发挥药效的作用机制并预测为生姜的Q-Marker.结论:本研究初步预测了生姜传统功效的Q-Marker.
Identification of Quality Markers for Zingiberis Rhizoma Recens Based on Liquid Chromatography-mass Spectrometry Technology and Network Pharmacology
Objective:To predict and analyze the quality markers(Q-Markers)of Zingiberis Rhizoma Recens based on ultra-high-performance liquid chromatography-quadrupole-time-of-flight tandem mass spectrometry(UPLC-Q-TOF-MS/MS)technology and network pharmacology.Methods:UPLC-Q-TOF-MS/MS was used to qualitatively analyze the chemical components of Zingiberis Rhizoma Recens in both positive and negative ion modes.Network pharmacology was employed to analyze the modern pharmacologi-cal mechanisms of traditional effects of Zingiberis Rhizoma Recens,thereby preliminarily exploring Q-Markers of Zingiberis Rhizo-ma Recens.Molecular docking technology was used to verify the binding activity between active components and target proteins.Re-sults:A total of 48 chemical components in Zingiberis Rhizoma Recens were identified through UPLC-Q-TOF-MS/MS,with 33 ac-tive components screened as Q-Marker candidates.Network pharmacology analysis of these 33 active components identified 508 tar-get genes and 157 signaling pathways,such as the phosphatidylinositol 3-kinase/protein kinase B(PI3K/AKT)signaling pathway and the Ras signaling pathway.The study preliminarily explored the pharmacological mechanisms of six compounds,i.e.,8-gin-gerone,6-shogaol,8-gingerol,tetrahydrocurcumin,1-dehydro-8-gingerdione,and(E)-4-(3,7-dimethylocta-2,6-dien-1-yl)-2-me-thoxy phenol,and predicted them as Q-Markers of Zingiberis Rhizoma Recens.Conclusion:This study preliminarily predicted the Q-Markers associated with the traditional effects of Zingiberis Rhizoma Recens.

Zingiberis Rhizoma RecensFresh medicineUPLC-Q-TOF-MS/MSNetwork pharmacologyMolecular dockingTraditional efficacyPharmacological mechanismQuality markers

朱萱萱、王心威、李军梅、孟硕、任钧国、彭勍、刘建勋

展开 >

中国中医科学院西苑医院基础医学研究所/中药药理北京市重点实验室,北京,100091

广东药科大学中医药研究院,广州,510006

生姜 鲜药 超高效液相色谱-四极杆-飞行时间串联质谱 网络药理学 分子对接 传统功效 作用机制 质量标志物

国家自然科学基金项目中国中医科学院科技创新工程项目中国中医科学院科技创新工程项目

82030124CI2021A04603CI2021A04601

2024

10.3969/j.issn.1673-7202.2024.14.004

世界中医药
世界中医药学会联合会

世界中医药

CSTPCDCHSSCD北大核心
影响因子：1.266
ISSN：1673-7202
年,卷(期)：2024.19(14)
  • 16