A Study on the Potential Mechanism of Pomegranate Peel on Diarrhoeal Irritable Bowel Syndrome Revealed by Web-Based Pharmacology and Molecular Docking Technique
Objective To investigate the potential preventive mechanism of pomegranate peel a-gainst diarrhoeal irritable bowel syndrome to provide theoretical support for clinical prescription and medication as well as new ideas for the development of new drugs.Methods The TCMSP database was used to set up the relevant requirements to find the active ingredients and relat-ed targets of pomegranate peel,and to take out the intersecting targets with the disease target genes collated from DrugBank,GeneCards,OMIM,PharmGkb,and TTD public databases.First-ly,the intersecting targets were analyzed for GO,KEGG enrichment by R software to clarify the potential molecular mechanism and pathway information of pomegranate peel on diarrhoeal irri-table bowel syndrome.Secondly,PPI network construction of the intersecting targets was per-formed in the STRING database to find the core targets.Finally,the core targets were verified by molecular docking with the corresponding compounds to observe whether the two could bind better.Results The active compounds of pomegranate rind,such as quercetin,lignocerotox-in,kaempferol and β-sitosterol,were able to effectively act on the core targets TP53,AKT1,CASP3,BCL2 and TNF,and its KEGG was enriched in the pathways of lipids and atherosclero-sis,PI3K-Akt,and chemocarcinogenesis,and molecular docking demonstrated that the core tar-gets and the active compounds could be efficiently binding.Conclusions Pomegranate peel ex-erts intestinal inflammation reduction and antioxidant effects through multi-targets and multi-pathways,and has a good effect against diarrhoeal irritable bowel syndrome.
pomegranate peelnetwork pharmacologymolecular docking,irritable bowel syn-drome with predominant diarrhea
万方数据
维普
