Application of bioinformatics in screening natural drug ingredients for the treatment of silicosis from the perspective of ferroptosis

Abstract

Abstract: Objective Using bioinformatics methods to screen natural drug ingredients for the treatment of silicosis from the perspective of ferroptosis,in order to provide new clues for the prevention and treatment of silicosis. Methods The gene expression data set related to silicosis was downloaded from the GEO database,and the data set was standardized by R software. The gene expression profile was analyzed using the limma package to obtain differentially expressed genes. The genes related to ferroptosis were collected through the FerrDb database. The intersection of ferroptosis-related genes and differentially expressed genes in silicosis was performed. The KEGG and GO enrichment analysis of the intersection genes was performed using the Webgestalt platform,and the PPI protein interaction network analysis of the intersection genes was performed using the STRING database and imported into the Cytoscape software to obtain the core target. The natural drugs targeting the core targets were searched by SymMap platform,and the effective components of natural drugs were found by TCMSP. Finally,molecular docking verification was carried out. Results Totally 31 intersection genes were obtained by intersection of ferroptosis-related genes and differentially expressed genes of silicosis. GO analysis showed that the intersection genes were involved in biological processes such as biological regulation,metabolic process and multicellular process. KEGG functional enrichment analysis showed that the differential genes were mainly enriched in ferroptosis,HIF-1 signaling pathway and AGE-RAGE signaling pathway in diabetic complications. Importing intersection genes into Cytoscape software resulted in five core targets. Quercetin and β-Sitosterol docking between the drug components of beta sitosterol and the core target showed that NOS2 and TGFBR1 had low binding energy and stable binding with these two drugs. Conclusion Quercetin and β-Sitosterol may be potential therapeutic drugs for silicosis,and NOS2 and TGFBR1 are the core therapeutic targets. The results of this study can provide new ideas for the development of drugs for the treatment of silicosis.

Key words: Ferroptosis, Bioinformatics, Silicosis, Natural pharmaceutical ingredients

CLC Number:

R135.2

GAO Wei, JIAO Keying, HE Xinlei, HAO Han. Application of bioinformatics in screening natural drug ingredients for the treatment of silicosis from the perspective of ferroptosis. [J]OCCUPATION AND HEALTH, 2024, 40(14): 1889-1894.

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