[NMR paper] Interaction between wine phenolic acids and salivary proteins by std-nmr and molecular-dynamic simulations.

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INTERACTION BETWEEN WINE PHENOLIC ACIDS AND SALIVARY PROTEINS BY STD-NMR AND MOLECULAR-DYNAMIC SIMULATIONS.

Related Articles INTERACTION BETWEEN WINE PHENOLIC ACIDS AND SALIVARY PROTEINS BY STD-NMR AND MOLECULAR-DYNAMIC SIMULATIONS.

J Agric Food Chem. 2017 Mar 02;:

Authors: Ferrer-Gallego R, Hernández-Hierro JM, Brás NF, Vale N, Gomes P, Mateus N, De Freitas V, Heredia FJ, Escribano-Bailon MT

Abstract
The interaction between phenolic compounds and salivary proteins is highly related to the astringency perception. Recently, it has been evidenced the existence of synergisms on the perceived astringency when phenolic acids were tested as mixtures in comparison to individual compounds, maintaining constant the total amount of the stimulus. The interactions between wine phenolic acids and the peptide fragment IB712 have been studied by Saturation-Transfer Difference (STD) NMR spectroscopy. This technique provided the dissociation constants and the percentage of interaction between both, individual and mixtures of hydroxybenzoic and hydroxycinnamic acids and the model peptide. It is noteworthy that hydroxybenzoic acids showed higher affinity for the peptide than hydroxycinnamic acids. To obtain further insights into the mechanisms of interaction, Molecular-Dynamics Simulations have been performed. Results obtained showed not only the ability of these compounds to interact with salivary proteins but also may justify the synergistic effect observed in previous sensory studies.


PMID: 28251854 [PubMed - as supplied by publisher]



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