赣南医学院学报2023，Vol.43Issue(10)：993-1004,12.DOI:10.3969/j.issn.1001-5779.2023.10.002
基于网络药理学和分子对接探讨黄芪治疗胶质瘤的有效成分和作用机制
Network pharmacology and molecular docking study of Astragalus in the treatment of glioma
摘要
Abstract
Objective:To explore the effective components and mechanism of Astragalus in the treatment of glioma by means of network pharmacology.Methods:Screening of chemical constituents of Astragalus and potential targets of astragalus chemical constituents in the TCMSP database.The GeneCards database and the OMIM database were selected to search for glioma-related targets,and duplicate data were deleted.VENNY 2.1 software was used to create a Venn diagram between the targets of Astragalus components and disease targets,and to obtain the intersection genes.The Cytoscape v3.9.1 software was selected to construct the action relationship network of"traditional Chinese medicine-chemical components-targets-disease",and then the network topology was analyzed to determine the effective components and targets of Astragalus in the treatment of glioma;using the STRING database to construct glioma-related PPI network;use R x64 4.1.2 software and Weishengxin to conduct GO functional enrichment analysis and KEGG biological pathway enrichment analysis of the targets of Astragalus in the treatment of glioma,further to explore the mechanism of action of astragalus in the treatment of glioma.The main chemical components and key targets in Astragalus were docked with Auto Dock and PyMol software to verify their biological activities.Results:A total of 13 effective active ingredients were screened by TCMSP,137 active ingredients and disease intersection targets were screened,and 16 key targets were screened out by network topology analysis.The GO enrichment results showed that the target genes of Astragalus in the treatment of glioma were mainly enriched in 20 biological processes,mainly concentrated in:lipopolysaccharide response,response to bacteria-derived molecules,cell response to chemical stress,antioxidant response,etc.KEGG enrichment results screened 20 pathways.It is speculated that Astragalus affects the role of AGE-RAGE signaling pathway in diabetes complications related signaling pathways,lipid and atherosclerosis related signaling pathways,fluid shear stress and atherosclerosis.related signaling pathways to play a role in the treatment of glioma.Molecular docking showed that quercetin and MAPK14,quercetin and JUN,kaempferol and JUN,formononetin and MAPK14 and AR,isorhamnetin and AR had strong binding activities.Conclusion:Active ingredients of Astragalus in treating glioma are quercetin,kaempfero,isorhamnetin,7-O-methylisopropanolamine and formononetin.The mechanism of Astragalus in the treatment of Glioma may be related to lipopolysaccharide response,the role of AGE-RAGE signaling pathway in diabetic complications,lipids and atherosclerosis.关键词
黄芪/胶质瘤/网络药理学/富集分析/分子对接Key words
Astragalus/Glioma/Network pharmacology/Enrichment analysis/Molecular docking分类
医药卫生引用本文复制引用
罗明明,张晖,郭方曦,贾利娜,纪玉龙,王琪..基于网络药理学和分子对接探讨黄芪治疗胶质瘤的有效成分和作用机制[J].赣南医学院学报,2023,43(10):993-1004,12.基金项目
江西省中医药科技计划项目(2020A0328,2022A347) （2020A0328,2022A347）
江西省卫生健康委员会科技计划项目(202110078) （202110078）
