基于网络药理学探讨中药活性成分在改善矽肺肺泡上皮细胞铁死亡中的潜在机制

Exploring the potential mechanism of active components of traditional Chinese medicine in improving ferroptosis of alveolar epithelial cells in silicosis based on network pharmacology

目的探讨肺泡上皮细胞铁死亡在矽肺纤维化过程中的作用,并预测可能的中药治疗方法。方法利用R软件分析GSE30180数据集样本的差异表达基因(DEGs),自FerrDb平台获取铁死亡相关基因(FRGs),取二者交集。通过String数据库构建蛋白质-蛋白质相互作用网络(PPI),利用Cytoscape软件进一步筛选Hub基因,利用Coremine数据库预测与上述关键基因相关的中药,并通过TCMSP数据库确定其活性成分。结果本研究确定了10个矽肺纤维化过程中与肺泡上皮细胞铁死亡相关的DEGs,其中IL-6、PTGS2、EGR1为核心基因。本研究预测了16种与3个核心基因密切相关的可能治疗矽肺纤维化的中药,包括丹参、柴胡、鸦胆子、黄莲等,分子对接分析显示关键活性成分(-)-表没食子儿茶素没食子酸酯与3个核心基因有交互作用。结论本研究初步探讨了肺泡上皮细胞铁死亡在矽肺纤维化中的潜在作用,并提出了可能的中药治疗策略。

Objective To explore the role of ferroptosis in alveolar epithelial cells during silicosis fibrosis and predict possible traditional Chinese medicine(TCM)treatment methods.Methods The differentially expressed genes(DEGs)in GSE30180 dataset samples were analyzed using R software,and ferroptosis-related genes(FRGs)were obtained from the FerrDb platform.The intersection of the two sets of genes was taken.Protein-protein interaction networks(PPI)were constructed using the String database,and hub genes were further screened using Cytoscape software.TCMs related to the above key genes were predicted using the Coremine database,and their active ingredients were determined through the TCMSP database.Results In this study,10 DEGs related to ferroptosis in alveolar epithelial cells during silicosis fibrosis were identified,with IL-6,PTGS2,and EGR1 as the core genes.Sixteen potential TCMs closely related to the three core genes were predicted,including Salvia miltiorrhiza,Bupleurum chinense,Brucea javanica,and Coptis chinensis.Molecular docking analysis showed that the key active ingredient(-)-epigallocatechin gallate interacted with the three core genes.Conclusion This study preliminarily explored the potential role of ferroptosis in alveolar epithelial cells during silicosis fibrosis and proposed possible TCM treatment strategies.