基于网络药理学及分子对接探讨培土生金方治疗小儿哮喘作用机制OA

Objective To investigate the mechanism of Peitu Shengjin Prescription in the treatment of pediatric asthma based on network pharmacology and molecular docking technology.Methods The active components and targets of Peitu Shengjin Prescription were collected with the help of TCMSP database.The relevant targets of pediatric asthma were obtained from the databases of GeneCards,OMIM and DrugBank.The Venny 2.1 online plotting tool platform was used to draw Venn diagrams,potential targets of Peitu Shengjin Prescription for treating pediatric asthma were identified,and were uploaded to the STRING platform to construct a protein-protein interaction(PPI)network.Cytoscape 3.10.1 software was used to construct Chinese materia medica-active component-target network;the enrichment analysis of GO and KEGG pathways was carried out by Metascape;molecular docking was performed using AutoDock Vina 1.1.2 software and molecular docking pattern diagrams were drawn using PyMOL 2.5 software.Results A total of 152 active components and 120 therapeutic targets for pediatric asthma were identified in Peitu Shengjin Prescription,mainly involving signaling pathways of TNF,PI3K-Akt,and hepatitis C.Molecular docking showed that the top 5 components by degree value(quercetin,luteolin,kaempferol,acacetin and glycyrol A)exhibited favorable binding effects with TNF,AKT1,IL6,IL1B and TP53.Conclusion The core components of Peitu Shengjin Prescription in treating pediatric asthma are quercetin and luteolin,etc.It may exert multiple effects such as anti-inflammation,relieving airway spasm,and regulating immunity by targeting TNF,AKT1,IL6,etc.,through signaling pathways such as TNF and PI3K-Akt.