基于网络药理学和分子对接技术探讨甘草总黄酮对特发性肺纤维化的作用OA

Objective To explore the potential mechanisms of action of total flavonoids from licorice against idiopathic pulmonary fibrosis(IPF)using network pharmacology and molecular docking.Methods The targets of the active flavonoid components in licorice were obtained from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)and the UniProt database.Disease targets of IPF were retrieved from the GeneCards database.Common targets were identified using the Venny 2.1.0 online platform,and core targets of total flavonoids from licorice against IPF were screened and a PPI network was constructed using the STRING database and Cytoscape 3.9.1 software.GO and KEGG pathway enrichment analyses of the intersecting core targets were performed using the Metascape database,and bubble charts were generated using the online bioinformatics platform Weishengxin.Finally,molecular docking was performed between targets with higher node degree values in the core target PPI network and the active flavonoid components with higher predicted target counts in licorice.Results A total of 68 active flavonoid components and 211 target genes of licorice were screened through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)and UniProt database.A total of 1970 disease targets of IPF were retrieved from the GeneCards database,among which 137 overlapping targets with the active flavonoid components of licorice were identified.Through PPI network analysis,37 core targets of total flavonoids from licorice potentially acting on IPF were screened.GO and KEGG enrichment analyses of the core targets yielded 1135 biological processes,59 molecular functions,and 25 cellular components,with the main pathways involved including cancer signaling pathway,AGE-RAGE signaling pathway,MAPK signaling pathway,JAK-STAT signaling pathway,and NF-κB signaling pathway.Molecular docking analysis revealed that the active components quercetin,kaempferol,licochalcone A,and glabridin exhibited strong binding affinities with the core targets AKT1,TNF,IL6,TP53,MMP9,STAT3,and TGFB1.Conclusion Through the analysis of network pharmacology and molecular docking technology,it is found that total flavonoids from licorice have a preventive and therapeutic effect on IPF,which can play a role through the related pathways of AKT1,TNF,IL6,TP53,MMP9,STAT3,TGFB1 and other targets,and provide theoretical basis and guidance for later experimental research.