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| 基于HPLC-Q-TOF-MS/MS技术及网络药理学的瓜蒌祛痰止咳质量标志物预测分析 |
| Predictive analysis of Q-Marker of Trichosanthis Fructus in expelling phlegm and arresting coughing based on HPLC-Q-TOF-MS/MS and network pharmacology |
| 投稿时间：2024-02-21 修订日期：2024-07-19 |
| DOI： |
| 中文关键词: 瓜蒌 HPLC-Q-TOF-MS/MS 祛痰止咳 网络药理 质量标志物 |
| 英文关键词: Trichosanthis Fructus HPLC-Q-TOF-MS/MS Expelling phlegm and arresting coughing Network pharmacology Q-Marker |
| 基金项目:山东省重点研发计划项目(编号:2018GSF119004) |
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| 中文摘要: |
| 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SwissTargetPrediction、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。表明瓜蒌主要通过这些成分、靶点、通路发挥祛痰止咳的作用,初步预测葫芦素D、葫芦素R、栝楼酯碱等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。 |
| 英文摘要: |
| OBJECTIVE To explore the potential Q-Marker of Trichosanthis Fructus in expelling phlegm and arresting coughing based on HPLC-Q-TOF-MS/MS and network pharmacology. METHODS HPLC-Q-TOF-MS/MS method was developed and applied to identify the components of rat plasma. Potential targets of the active ingredients were predicted by Swiss Target Prediction. By comparing with the targets of cough and phlegm drugs in the CooLGeN database, we can obtain the targets of Trichosanthis Fructus for expelling phlegm and arresting coughing. Use String database to get the correlation between proteins. The GO and KEGG pathways involved in the targets were analyzed by using DAVID database. The Cytoscape 3.6.0 software was used to construct the active components-targets network, the target protein interaction（PPI）network, and the active components-targets-pathways network. RESULTS A total of 17 prototype components in water extracts of Trichosanthis Fructus were identified. The network analysis results showed that 15 active components in were obtained, involving 61 targets and 23 related pathways, which 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 result of this study can a reference for the selection of?Q-Marker of Trichosanthis Fructus, which can also provide a reference for the research on the active compounds and mechanisms of expelling phlegm and arresting coughing. |
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