罗慧英 1吴步梅 2张文利 2方彩霞 2魏永波 3陈辅斌4
作者信息
- 1. 甘肃中医药大学药学院,兰州 730000
- 2. 兰州市农业科技研究推广中心,兰州 730000
- 3. 皋兰百璐通瓜果专业合作社,甘肃皋兰 730200
- 4. 皋兰县农业技术服务中心,甘肃皋兰 730200
- 折叠
摘要
Abstract
[Objective]To investigate the molecular mechanism of Ruanerli on the intervention of alcoholic liver injury based on bioinformatics analysis and molecular docking.[Method]The alcoholic liver injury dataset GSE103580 was downloaded from GEO and mapped with target genes of Ruanerli to obtain the alcohol-related liver injury genes in Ruanerli.R software was used to cluster all samples into two clusters according to the expression profile of intersection genes.The estimated immune infiltration score,GSEA and ssGSEA were compared between the two clusters.The key genes of Ruanerli on the intervention of alcoholic liver injury were obtained by Lasso regres-sion,and the scientific nature of regression was verified by ROC curve.Origin was used to compare the expression differences of key genes between clusters and the correlation between genes.Orange was used to compare the expression of key genes in the single cell dataset GSE236382.GO enrichment and KEGG enrichment of intersection genes were performed to predict the possible pathway of Ruanerli on the intervention of alcoholic liver injury.Molecular docking of core components and core targets was performed using Autodock Vina to verify their interactions.[Result]Mapping with GEO dataset revealed 276 genes related to alcoholic liver injury in Ruanerli.After consistent clustering into 2 clusters,the two clusters showed significant differences in estimated immune infiltration score,GSEA and ssGSEA enrichment(P<0.05).By Lasso regression,11 key genes of Ruanerli on the intervention of alcoholic liver injury were obtained,which were RNASE1,CYP2E1,PRDX5,SRD5A2,MT2A,GSTZ1,ACAT2,SLC25A10,ADH4,HAO1 and ADH1C.There were significant differences in the expression of these 11 genes between clusters(P<0.05),and the inter-gene expression correlation was also strong.Single-cell analysis showed that ADH1C,the gene with the highest degree in PPI network,was highly expressed in 5 single-cell samples and 10 cell groups.GO and KEGG analysis showed that these 11 key genes were mainly concentrated in metabolism-related pathways such as small molecule metabolism,arginine biosynthesis,amino acid biosynthesis and et al.Molecular docking results showed that the target gene(ADH1C),which ranked first in the composition-target plot,had strong binding activity with the top three chemical components of Ruanerli(acetone,toluene,and styrene).[Conclusion]The effects of Ruanerli on alcoholic liver injury has the characteristics of multi-component,multi-target and multi-pathway.Ruanerli may exert its protective effect on alcoholic liver injury mainly by influencing substance metabolism.关键词
软儿梨/酒精性肝损伤/生信分析/分子对接Key words
Ruanerli/alcoholic liver disease(ALD)/bioinformatics analysis/molecular docking
