ISSN 1006-298X      CN 32-1425/R

Chinese Journal of Nephrology, Dialysis & Transplantation ›› 2022, Vol. 31 ›› Issue (4): 328-334.DOI: 10.3969/j.issn.1006298X.2022.04.006

Previous Articles     Next Articles

Application of bioinformatics to screen natural drug components for treating chronic kidney disease from the perspective of ferroptosis#br#
#br#

  

  • Online:2022-08-29 Published:2022-08-26

Abstract: Objective:Bioinformatics was applied to analyze and screen the natural drugs and their effective components for the treatment of chronic kidney diseases (CKD) from the perspective of ferroptosis, opening up a new way for the treatment of CKD.
Methodology:The databases related to CKD were searched in GEO database, and differential expression genes (DEGs) of CKD were obtained by using limmma package of R language.Genes related to ferroptosis were collected in FerrDb platform, and the protein interaction network was constructed by the intersection genes of ferroptosis related genes and the above DEGs, and the topology of the network was analyzed.Then, clusterProfiler, pathview and other R packages were used for functional enrichment analysis of intersected genes (GO, KEGG).Finally, symMap platform was used to locate natural drugs, and TCMSP was used to find the small molecule compounds corresponding to natural drugs and their corresponding targets for molecular docking analysis. 
Results:GEO database screened GSE66494 and GSE120683 data sets, and 1021 targets were obtained by limma difference analysis. A total of 259 targets related to ferroptosis were collected by FerrDb platform, and 18 key targets could be obtained by using the common targets of ferroptosis and differential expression of CKD to construct PPI network and topology analysis. GO and KEGG enrichment analysis showed that CKD was related to small molecule catabolic process and mTOR signaling pathway from the perspective of ferroptosis.SymMap and TCMSP database results showed that natural small molecule compounds such as Citric Acid and Coumestrol could form good molecular docking with the core target. 
Conclusion:Through bioinformatics and molecular docking, citric acid and Coumestrol derived from rhubarb and other natural drugs were obtained, which may become key candidate drugs for the treatment of CKD, providing a new direction for the research and development of new drugs for CKD.

Key words: bioinformaticsferroptosis,chronic kidney disease,natural pharmaceutical ingredients