UPLC-Q-TOF-MS联合网络药理学探究苦参治疗湿疹的作用机制
UPLC-Q-TOF-MS combined with network pharmacology for the mechanism of action of Sophora flavescens in the treatment of eczema
史晓璇 1李茗晞 1王艳 1郭若曦 2郭浩 2王鹏 2张晗 2李雪3
作者信息
- 1. 天津中医药大学,天津 301617;现代中医药海河实验室,天津 301600
- 2. 天津尚美化妆品有限公司,天津 300385
- 3. 天津医科大学总医院核医学科,天津 300052
- 折叠
摘要
目的 采用UPLC-Q-TOF-MS和网络药理学方法,从分子水平揭示苦参经皮给药对湿疹的潜在作用机制.方法 采用UPLC-Q-TOF-MS技术,结合文献数据鉴定化学成分.通过Swiss Target Prediction数据库预测作用靶点,Cytoscape 3.9.0构建蛋白质互相作用(PPI)网络图,利用Metascape数据库对靶点进行GO注释和KEGG通路分析.结果 小鼠经皮给药后推测出 14 个皮肤滞留原形成分,7 个入血原形成分.网络药理学研究得到肿瘤坏死因子(TNF)、血管内皮生长因子A(VEGFA)、表皮生长因子受体(EGFR)等苦参治疗湿疹的核心靶点.KEGG富集分析显示与血清素能突触信号通路、花生四烯酸代谢等信号途径密切相关.结论 通过UPLC-Q-TOF-MS结合网络药理学进一步阐明苦参外用治疗湿疹的主要靶点和通路,为后续深入研究提供参考.
Abstract
Objective To determine the potential mechanism of transdermal administration of Sophora flavescens on eczema at molecular level with UPLC-Q-TOF-MS and network pharmacology.Methods The chemical compositions were identified by UPLC-Q-TOF-MS technique and literature data.The target was predicted by Swiss Target Prediction database,the protein interaction(PPI)network map was established by Cytoscape 3.9.0,and the target was analyzed by GO annotation and KEGG pathway with Metascape database.Results After transdermal administration of the drug in mice,14 components of the skin retention prototype and 7 components of the blood prototype were inferred.The core targets of Sophora flavescens treatment for eczema,such as tumor necrosis factor,vascular endothelial growth factor A and epidermal growth factor receptor,were identified by network pharmacology.KEGG enrichment analysis showed close relation to serotonergic synaptic signaling pathway and arachidonic acid metabolism.Conclusion UPLC-Q-TOF-MS combined with network pharmacology is used to further elucidate the main targets and pathways of Sophora flavescens for the treatment of eczema.
关键词
苦参/湿疹/经皮吸收/UPLC-Q-TOF-MS/网络药理学Key words
Sophora flavescens/eczema/transdermal absorption/UPLC-Q-TOF-MS/network pharmacology引用本文复制引用
基金项目
国家自然科学基金青年科学基金(81602773)
出版年
2024
NETL
NSTL
万方数据