Journal Article


Richard J FitzGerald
Denis C Shields
Catherine Mooney
Alice B Nongonierma



predictive modelling amino acids dipeptidyl peptidase iv inhibitors xanthine oxidase inhibitors dipeptides milk binding sites reactive oxygen species

Inhibition of dipeptidyl peptidase IV and xanthine oxidase by amino acids and dipeptides (2013)

Abstract Xanthine oxidase (XO) and dipeptidyl peptidase IV (DPP-IV) inhibition by amino acids and dipeptides was studied. Trp and Trp-containing dipeptides (Arg-Trp, Trp-Val, Val-Trp, Lys-Trp and Ile-Trp) inhibited XO. Three amino acids (Met, Leu and Trp) and eight dipeptides (Phe-Leu, Trp-Val, His-Leu, Glu-Lys, Ala-Leu, Val-Ala, Ser-Leu and Gly-Leu) inhibited DPP-IV. Trp and Trp-Val were multifunctional inhibitors of XO and DPP-IV. Lineweaver and Burk analysis showed that Trp was a non-competitive inhibitor of XO and a competitive inhibitor of DPP-IV. Molecular docking with Autodock Vina was used to better understand the interaction of the peptides with the active site of the enzyme. Because of the non-competitive inhibition observed, docking of Trp-Val to the secondary binding sites of XO and DPP-IV is required. Trp-Val was predicted to be intestinally neutral (between 25% and 75% peptide remaining after 60 min simulated intestinal digestion). These results are of significance for the reduction of reactive oxygen species (ROS) and the increase of the half-life of incretins by food-derived peptides. (C) 2013 Elsevier Ltd. All rights reserved.
Collections Ireland -> University of Limerick -> Biological Sciences
Ireland -> University of Limerick -> Faculty of Science and Engineering
Ireland -> University of Limerick -> Departments Science and Engineering

Full list of authors on original publication

Richard J FitzGerald, Denis C Shields, Catherine Mooney, Alice B Nongonierma

Experts in our system

Richard J FitzGerald
University of Limerick
Total Publications: 169
Denis C. Shields
University College Dublin
Total Publications: 123
Catherine Mooney
University College Dublin
Total Publications: 63
Alice B Nongonierma
University of Limerick
Total Publications: 67