中国医科大学学报2024，Vol.53Issue(6)：509-515,524,8.DOI:10.12007/j.issn.0258-4646.2024.06.005
基于网络药理学探讨槲皮素治疗结核性溃疡的机制
Mechanism of quercetin in tuberculous ulcer treatment using network pharmacology
摘要
Abstract
Objective To explore the underlying molecular mechanism of quercetin in tuberculous ulcer treatment using network phar-macology and molecular docking.Methods We identified quercetin drug targets by searching the PubChem,SwissTarget,and TargetNet databases,then combining our results with those of previous tuberculosis ulcer gene sequencing in our group,thereby obtaining inter-section targets.Using the DAVID database,we performed intersection target gene ontology functional enrichment analysis and signaling pathway enrichment analysis of the Kyoto gene and genome database.We analyzed the intersection target using the STRING database and Cytoscape software and screened the hub node.We used PyMOL and AutoDockTolls software to complete quercetin molecular docking with the hub node,then screened the core drug target of quercetin.Finally,we constructed a macrophage model to verify the above-men-tioned core genes.Results We screened overall 54 drug targets.Our enrichment analysis indicated that the signaling pathways involved in quercetin-mediated tuberculous ulcer treatment were e.g.,metabolic pathways,lipid and atherosclerosis,or the MAPK signaling pathway.In addition,ALOX5,TNF,SRC,MMP9,and EGFRmight be the key genes in quercetin-mediated tuberculous ulcer treatment.Results of our cell culture experiment demonstrated that upon quercetin intervention,SRCand EGFRexpression increased significantly while that of MMP9decreased significantly in M1 and M2 macrophages.Conclusion Quercetin could potentially regulate macrophage polarization by influencing SRC,EGFR,and MMP9expression.关键词
复方五凤草液/槲皮素/结核性溃疡/网络药理学/分子对接技术Key words
compound Wufengcao liquid/quercetin/tuberculous ulcer/network pharmacology/molecular docking technology分类
医药卫生引用本文复制引用
郭丹丹,钱佳燕,陈悦,翁嘉晨,黄子慧..基于网络药理学探讨槲皮素治疗结核性溃疡的机制[J].中国医科大学学报,2024,53(6):509-515,524,8.基金项目
江苏省中医药重点科技项目(ZD202105) （ZD202105）
南京市卫生技术医学重点发展项目(ZKX20049) （ZKX20049）
南京中医药大学自然科学基金(XZR2021086) （XZR2021086）
