中国临床药学杂志2024，Vol.33Issue(9)：641-651,11.DOI:10.19577/j.1007-4406.2024.09.001
基于网络药理学及分子对接的银杏叶治疗神经胶质瘤机制分析
Analysis on potential mechanisms of Ginkgo biloba leaf used in the treatment of glioma based on network pharmacology and molecular docking
摘要
Abstract
AIM To investigate the potential mechanism of Ginkgo biloba leaf based on network pharmacology.METHODS The active components of Ginkgo biloba leaf were collected by TCMSP database.The target proteins corresponding to active components were obtained by ETCM,symMap and BindingDB databases.The target genes of glioma were extracted from DisGeNET,GeneCards and DrugBank databases.Cytoscape 3.9.1 was used to map the protein-protein interaction network and bioinformatics enrichment analysis of GO and KEGG was conducted.The disease-target-pathway network model of Ginkgo biloba leaf in glioma treatment was constructed.The molecular docking validation was carried out using AutoDock software.Glioma gene expression and clinical data were obtained by TCGA and GTEx databases,and the core target genes were analyzed by bioinformatic analysis.RESULTS A total of 197 targets of Ginkgo biloba leaf and glioma were extracted,and hub genes were obtained.Molecular docking results showed that the target proteins of hub Genes of glioma involved STAT3,TNF,TP53,ACTB,VEGFA and GAPDH could bind efficiently to the related active components of Ginkgo biloba.Bioinformatic analysis indicated that the core target genes were significantly upregulated in glioma,and had potential diagnostic,prognostic and therapeutic value.CONCLUSIONS Ginkgo biloba leaf may play a role in the treatment of glioma by acting on core target proteins such as STAT3,TNF,TP53 and VEGFA through the main active components such as quercetin and luteolin,and play a role in the treatment of glioma by regulating oxidative stress,MEK/ERK,PI3K/AKT and other signaling pathways.关键词
银杏叶提取物/神经胶质瘤/网络药理学/分子对接/作用机制Key words
Ginkgo biloba leaf/glioma/network pharmacology/molecular docking/pharmacodynamic mechanism引用本文复制引用
郑心怡,余舒帆,汤君毅,覃韦苇..基于网络药理学及分子对接的银杏叶治疗神经胶质瘤机制分析[J].中国临床药学杂志,2024,33(9):641-651,11.基金项目
国家自然科学基金(编号82204440) （编号82204440）
