基于网络药理学及分子对接技术研究玉屏风散治疗小儿反复呼吸道感染的作用机制

Research on the Mechanism of Yupingfeng Powder in Treating Recurrent Respiratory Tract Infection in Children Based on Network Pharmacology and Molecular Docking Technology

目的:探究玉屏风散治疗小儿反复呼吸道感染(recurrent respiratory tract infecti-ons,RRTIs)的作用机制。方法:通过TCMSP数据库检索玉屏风散的活性成分及靶点,Sw-issTargetPrediction进行补充;利用GeneCards、DrugBank、Disgenet、PharmGkb、OMIM数据库收集小儿RRTIs疾病靶点;使用Cytoscape软件制作“疾病-中药-成分-靶点”关系网络,联合STRING平台构建蛋白互作网络。对交集靶点进行GO、KEGG富集分析。依据Disco-very studio软件将主要靶点蛋白与主要活性化合物进行分子对接。结果:收集到玉屏风散44个活性成分和465个靶点;其中与小儿RRTIs疾病相关靶点260个,核心靶点是TP53、SRC,涉及PI3K-Akt、TNF、IL-17、CLR等信号通路。分子对接表明主要活性化合物与疾病主要靶点结合力良好。结论:玉屏风散可通过多成分、多途径、多靶点增强免疫应答、控制炎症反应治疗小儿RRTIs。

Objective:To explore the mechanism of Yupingfeng Powder in the treatment of recurrent respiratory tract infections(RRTIs)in children.Methods:TCMSP database was used to retrieve the active ingredients and related targets of Yupingfeng Powder,and supplement through the SwissTargetPrediction.The RRTIs'disease related targets were searched through the GeneCards,DrugBank,Disgene,PharmaGkb and OMIM databases.Built a"disease-Chinese herb-ingredients-targets"relational network by Cytoscape sofware,and the protein-protein interaction was constructed with the STRING platform.Conducted GO and KEGG enrichment analysis on intersecting targets.Based on the Discovery studio software,the main target proteins are molecularly docked with main active compounds.Results:44 active ingredients and 465 targets were collected from Yupingfeng Powder;Among them,there are 260 targets related to RRTIs,which has core targets being TP53 and SRC,involving signal pathways such as PI3K-Akt,TNF,IL-17 and CLR.Molecular docking indicates that the main active compounds have good binding power with the main targets of diseases.Conclusion:Yupingfeng Powder can enhance immune response levels and control inflammatory response in RRTIs through multiple components,pathways and targets.