title: "Rules of Engagement" of Protein-Glycoconjugate Interactions: A Molecular View Achievable by using NMR Spectroscopy and Molecular Modeling.
abstract: Understanding the dynamics of protein-ligand interactions, which lie at the heart of host-pathogen recognition, represents a crucial step to clarify the molecular determinants implicated in binding events, as well as to optimize the design of new molecules with therapeutic aims. Over the last decade, advances in complementary biophysical and spectroscopic methods permitted us to deeply dissect the fine structural details of biologically relevant molecular recognition processes with high resolution. This Review focuses on the development and use of modern nuclear magnetic resonance (NMR) techniques to dissect binding events. These spectroscopic methods, complementing X-ray crystallography and molecular modeling methodologies, will be taken into account as indispensable tools to provide a complete picture of protein-glycoconjugate binding mechanisms related to biomedicine applications against infectious diseases.
authors.affiliation: Department of Chemical Sciencest University of Napoli Federico II Via Cintia 4 80126 Napoli Italy.
authors.forename: Roberta
authors.initials: R
authors.lastname: Marchetti
authors.affiliation: Department Molecular Pharmacochemistry UMR 5063 CNRS and University of Grenoble Alpes, BP 53 38041 Grenoble cedex 9 France.
authors.forename: Serge
authors.initials: S
authors.lastname: Perez
authors.affiliation: Bizkaia Technological Park CIC bioGUNE Building 801A-1 48160 Derio-Bizkaia Spain.
authors.forename: Ana
authors.initials: A
authors.lastname: Arda
authors.affiliation: Centre de Recherche sur les CNRS and University of Grenoble Macromolécules Végétales, UPR 5301 Alpes, BP 53 38041 Grenoble cedex 9 France.
authors.forename: Anne
authors.initials: A
authors.lastname: Imberty
authors.affiliation: Bizkaia Technological Park CIC bioGUNE Building 801A-1 48160 Derio-Bizkaia Spain.
authors.forename: Jesus
authors.initials: J
authors.lastname: Jimenez-Barbero
authors.affiliation: Department of Chemical Sciencest University of Napoli Federico II Via Cintia 4 80126 Napoli Italy.
authors.forename: Alba
authors.initials: A
authors.lastname: Silipo
authors.affiliation: Department of Chemical Sciencest University of Napoli Federico II Via Cintia 4 80126 Napoli Italy.
authors.forename: Antonio
authors.initials: A
authors.lastname: Molinaro
keywords: NMR spectroscopy; glycoconjugates; molecular modeling; molecular recognition; proteins