UPLC-Q-TOF-MS结合网络药理学探究苦参治疗特应性皮炎的潜在机制

Mechanism of Sophora flavescens in the topical treatment of atopic dermatitis by UPLC-Q-TOF-MS combined with network pharmacology

目的 探究苦参醇提液经皮给药后皮肤滞留成分及入血成分,并预测其治疗特应性皮炎的潜在作用机制。方法 采用超高效液相色谱-四极杆飞行时间质谱联用(UPLC-Q-TOF-MS)技术,定性分析小鼠体内皮肤滞留成分及入血成分。通过Swiss Target Prediction、GeneCards、OMIM数据库获取成分、疾病靶点,通过STRING数据库及Cytoscape软件构建蛋白互作(PPI)网络,通过DAVID数据库进行基因本体(GO)功能富集分析和京都基因与基因组百科全书(KEGG)通路富集分析。结果 共推测出18个皮肤滞留原形成分及4个入血原形成分。网络药理学结果显示,关键靶点为信号传导和转录活化因子(STAT)3、蛋白激酶B(AKT)1等,KEGG富集分析主要涉及磷脂酰肌醇-3-激酶(PI3K)-AKT等信号通路。结论 采用UPLC-Q-TOF-MS技术,探究苦参潜在的药效物质基础,并结合网络药理学预测其治疗特应性皮炎的潜在作用机制,初步为苦参的进一步开发利用提供参考依据。

Objective To determine the skin retention components and blood components in the alcohol extract of Sophora flavescens after transdermal administration,and its potential mechanism for atopic dermatitis.Methods UPLC-Q-TOF-MS was used to qualitatively analyze the skin retention components and blood components in mice.The targets of chemical components and disease were obtained through Swiss Target Prediction,GeneCards and OMIM databases.PPI network was established through STRING database and Cytoscape software.Gene Ontology(GO)function analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis were conducted by DAVID database.Results Totally 18 prototype skin retention components and 4 prototype blood components were identified.The network pharmacology showed that the key targets included signal transducer and activator of transcription(STAT)3,protein kinase B(AKT)1,etc.KEGG enrichment analysis mainly involved phosphoinositide 3-kinases(PI3K)-AKT and other signal pathways.Conclusion The pharmacodynamic basis of Sophora flavescens is determined by UPLC-QTOF-MS.Its potential mechanism for atopic dermatitis is made clear by network pharmacology,providing reference for the development and utilization of Sophora flavescens.