title: Monitoring the Interactions of a Ternary Complex Using NMR Spectroscopy: The Case of Sugars, Polyphenols, and Proteins.
abstract: Gaining insight into intermolecular interactions between multiple species is possible at an atomic level by looking at different parameters using different NMR techniques. In the specific case of the astringency sensation, in which at least three molecular species are involved, different NMR techniques combined with dynamic light scattering and molecular modeling contribute to decipher the role of each component in the interaction mode and to assess the thermodynamic parameters governing this complex interaction. The binding process between a saliva peptide, a polyphenol, and polysaccharides was monitored by following1H chemical shift variations, changes in NMR peak areas, and size of the formed complex. These NMR experiments deliver a complete picture of the association pathway, assessed by dynamic light scattering and molecular dynamics simulations: all of the data collected converge toward a comprehensive mode of interaction in which sugars indirectly play a role in astringency by sequestering part of the polyphenols, reducing their effective concentration to bind saliva proteins.
authors.affiliation: CESAMO-Institut des Sciences Moléculaires-UMR 5255, Université de Bordeaux, CNRS , 351 cours de la Libération, 33405 Talence, France.|Institute of Chemistry & Biology of Membranes & Nanoobjects (CBMN-UMR 5248), Université de Bordeaux, CNRS, INP Bordeaux , Allée Geoffroy Saint-Hilaire, 33600 Pessac, France.
authors.forename: Benoit
authors.initials: B
authors.lastname: Faurie
authors.affiliation: Institute of Chemistry & Biology of Membranes & Nanoobjects (CBMN-UMR 5248), Université de Bordeaux, CNRS, INP Bordeaux , Allée Geoffroy Saint-Hilaire, 33600 Pessac, France.
authors.forename: Erick J
authors.initials: EJ
authors.lastname: Dufourc
authors.affiliation: Institute of Chemistry & Biology of Membranes & Nanoobjects (CBMN-UMR 5248), Université de Bordeaux, CNRS, INP Bordeaux , Allée Geoffroy Saint-Hilaire, 33600 Pessac, France.
authors.forename: Michel
authors.initials: M
authors.lastname: Laguerre
authors.affiliation: CESAMO-Institut des Sciences Moléculaires-UMR 5255, Université de Bordeaux, CNRS , 351 cours de la Libération, 33405 Talence, France.
authors.forename: Isabelle
authors.identifier: 0000-0002-2694-3133
authors.initials: I
authors.lastname: Pianet
mesh_terms: D002392:Catechin / Q000031:analogs & derivatives / Q000378:metabolism; D000067493:Dynamic Light Scattering; D005947:Glucose / Q000378:metabolism; D006801:Humans; D056004:Molecular Dynamics Simulation; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D010455:Peptides / Q000378:metabolism; D059808:Polyphenols / Q000378:metabolism*; D011485:Protein Binding; D012471:Salivary Proteins and Peptides / Q000378:metabolism*; D000073893:Sugars / Q000378:metabolism*; D014920:Wine / Q000032:analysis
chemical_list: D010455:Peptides; D059808:Polyphenols; D012471:Salivary Proteins and Peptides; D000073893:Sugars; D002392:Catechin; C045651:epigallocatechin gallate; D005947:Glucose