基于HPLC-Q-TOF-MS/MS技术及网络药理学预测分析瓜蒌祛痰止咳的质量标志物
Predictive Analysis of Q-Marker of Trichosanthis Fructus for Cough Relieving and Phlegm Reducing Effects based on HPLC-Q-TOF-MS/MS and Network Pharmacology Method
和焕香 1郭庆梅 2王琳 2刘晓芸2
作者信息
- 1. 山东中医药大学,济南 250355;山东医药技师学院,泰安 271000
- 2. 山东中医药大学,济南 250355
- 折叠
摘要
目的:基于HPLC-Q-TOF-MS/MS技术和网络药理学方法,分析预测瓜蒌祛痰止咳的质量标志物(Q-Marker).方法:采用HPLC-Q-TOF-MS/MS技术鉴定瓜蒌水提液的入血原型成分,利用Swiss Target Prediction、SEA平台预测成分的作用靶点,并与CooLGeN数据库中止咳化痰药物靶点比对筛选,获得瓜蒌祛痰止咳的作用靶点.利用String数据库获得各蛋白之间的相互关系.使用DAVID数据库对瓜蒌祛痰止咳的作用靶点进行GO和KEGG通路富集分析.利用Cytoscape 3.6.0软件构建成分-靶点、蛋白-蛋白相互作用、成分-靶点-通路网络.结果:该研究共从大鼠血浆中鉴定出17个入血原型成分.经网络药理学分析,筛选得到15个与瓜蒌祛痰止咳相关的活性成分,涉及61个潜在作用靶点和23条作用通路.初步预测葫芦素D、葫芦素R、栝楼酯碱3个成分可作为瓜蒌潜在的Q-Marker.结论:该研究为瓜蒌质量标志物的筛选提供参考,同时也为瓜蒌祛痰止咳药效物质基础和作用机制研究提供参考.
Abstract
Objective:To explore the potential quality biomarker(Q-Marker)of Trichosanthis Fructus for cough relieving and phlegm reducing effects based on HPLC-Q-TOF-MS/MS technology and network pharmacology method.Methods:HPLC-Q-TOF-MS/MS method was developed and applied to identify the prototype components of rat plasma in water extracts of Trichosanthis Fructus.Potential targets of the active ingredients were predicted by Swiss Target Prediction and SEA.By comparing the targets of drugs for cough relieving and phlegm reducing in the CooLGeN database,we can identify the targets of Trichosanthis Fructus for cough relieving and phlegm reducing.String database was used to determine the correlation between proteins.The GO and KEGG pathways associated with the targets were analyzed using the DAVID database.The Cytoscape 3.6.0 software was used to construct the active components-targets network,the Protein-Protein Interaction(PPI)network,and the active components-targets-pathways network.Results:A total of 17 prototype components were identified in water extracts of Trichosanthis Fructus.The network pharmacology analysis results showed that 15 active components were obtained,involving 61 potential targets and 23 related pathways.These indicated that 3 active components,such as cucurbitacin D,23,24-dihydrocucurbitacin D,trichosanatine were preliminarily predicted to the potential Q-Marker of Trichosanthis Fructus.Conclusion:This study's results can serve as a reference for the selection of Q-Marker of Trichosanthis Fructus,which can provide a reference for the research on the active compounds and mechanisms involved in cough relieving and phlegm reducing effects.
关键词
瓜蒌/HPLC-Q-TOF-MS/MS/祛痰止咳/网络药理/质量标志物Key words
Trichosanthis Fructus/HPLC-Q-TOF-MS/MS/cough relieving and phlegm reducing/network pharmacology/Q-Marker引用本文复制引用
基金项目
山东省重点研发计划(2018GSF119004)
出版年
2024
NETL
NSTL
万方数据