Open Access“Rules of Engagement” of Protein–Glycoconjugate Interactions: A Molecular View Achievable by using NMR Spectroscopy and Molecular Modeling
Author(s) -
Marchetti Roberta,
Perez Serge,
Arda Ana,
Imberty Anne,
JimenezBarbero Jesus,
Silipo Alba,
Molinaro Antonio
Publication year - 2016
Publication title -
chemistryopen
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.644
H-Index - 29
ISSN - 2191-1363
DOI - 10.1002/open.201600024
Subject(s) - biomedicine , molecular recognition , computational biology , glycoconjugate , molecular model , nuclear magnetic resonance spectroscopy , molecular dynamics , nanotechnology , chemistry , molecule , biology , bioinformatics , computational chemistry , biochemistry , materials science , stereochemistry , organic chemistry
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.