健康研究2024，Vol.44Issue(4)：417-420,封3,5.DOI:10.19890/j.cnki.issn1674-6449.2024.04.012
基于网络药理学和分子对接预测泮托拉唑治疗肺癌的靶点与分子机制
Prediction of the target and molecular mechanism of pantoprazole therapy for lung cancer based on network pharmacology and molecular docking
摘要
Abstract
Objective To explore the key targets and molecular mechanisms of pantoprazole in the treatment of lung cancer by using network pharmacology and molecular docking methods.Methods The target of pantoprazole was predicted by Swiss TargetPrediction database;GeneCards,OMIM and other databases were employed to search the relevant targets of lung cancer.The intersection of pantoprazole's action target and lung cancer target was used to obtain potential targets.The STRING database was applied to elucidate the relationships among the targets,and Cytoscape 3.10.0 software was used to construct a protein-protein interaction(PPI)network and to select core targets.The DAVID website was employed for gene ontology(GO)function and Kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analysis.Molecular docking was performed using the AutoDock software.Results A total of 105 target proteins for pantoprazole and 2,180 lung cancer-related targets were identified.After taking the intersection,41 target proteins were identified as potential targets for pantoprazole in treating lung cancer.In the PPI network,13 targets including EGFR,ERBB2,PIK3CA,and MMP9 were identified as core targets.GO enrichment analysis and KEGG pathway analysis revealed that the core targets regulated by pantoprazole were closely associated with cell signaling pathway activation,tumor progression,and drug resistance mechanisms.Molecular docking results indicated strong interactions between pantoprazole and the core targets.Conclusions Pantoprazole may potentially treat lung cancer through targeting proteins such as EGFR,ERBB2,PIK3CA,and MMP9,as well as through multiple signaling pathways.关键词
泮托拉唑/肺癌/网络药理学/分子对接Key words
pantoprazole/lung cancer/network pharmacology/molecular docking分类
医药卫生引用本文复制引用
吴晓婷,王剑,李婷艳..基于网络药理学和分子对接预测泮托拉唑治疗肺癌的靶点与分子机制[J].健康研究,2024,44(4):417-420,封3,5.基金项目
浙江省基础公益研究项目(LGF19H010002) （LGF19H010002）
浙江省医药卫生科技计划创新引导专项(2023XY010) （2023XY010）
