基于网络药理学和分子对接探究化合物COB-187治疗非小细胞肺癌的作用机制  

Mechanism of compound COB-187 in the treatment of non-small cell lung cancer based on network pharmacology and molecular docking technology

作　　者：黄丽丽 毛佳瑜 谢静文 Huang Lili

机构地区：[1]宁波大学附属李惠利医院,315000 [2]宁波市海曙区中医医院,315100 [3]重庆工贸职业技术学院,404040

出　　处：《浙江临床医学》2024年第12期1750-1753,共4页Zhejiang Clinical Medical Journal

基　　金：宁波市医学重点学科建设项目(2022-F06)。

摘　　要：目的基于网络药理学和分子对接技术探究COB-187治疗非小细胞肺癌(NSCLC)的作用机制。方法通过蛋白质-蛋白质相互作用网络(PPI)、基因本体(GO)生物过程富集分析、京都基因与基因组百科全书(KEGG)信号通路分析、分子对接等方法分析COB-187治疗NSCLC的作用机制。结果COB-187通过影响GSK-3β、EGFR及CASP3等蛋白的表达,进而调控PI3K、MAPK等信号通路,干预蛋白质磷酸化、肽基酪氨酸磷酸化等生物过程,起到抗癌效果。结论通过网络药理学和分子对接技术发现COB-187靶向抑制GSK-3β,起到抗癌效果,有望成为NSCLC潜在治疗药物。Objective To explore the mechanism of COB-187 in the treatment of non-small cell lung cancer(NSCLC)based on network pharmacology and molecular docking technology.Methods The mechanism of COB-187 in the treatment of NSCLC was analyzed by protein-protein interaction network(PPI),gene ontology(GO)enrichment analysis,Kyoto Encyclopedia of genes and genomes(KEGG)pathway analysis and molecular docking.Results The anti-cancer effect of COB-187 was achieved by regulating the expression of GSK-3β,EGFR,CASP3,PI3K,MAPK signaling pathways,protein phosphorylation,peptidyl tyrosine phosphorylation and other biological processes.Conclusion Through network pharmacology and molecular docking technology,we found that COB-187 can inhibit GSK-3βand play an anti-cancer effect,which is expected to be a potential therapeutic drug for NSCLC.

关 键 词：非小细胞肺癌 COB-187 网络药理学 分子对接 糖原合成酶激酶-3Β 

分 类 号：R285[医药卫生—中药学]