"Rules of Engagement" of Protein-Glycoconjugate Interactions: A Molecular View Achievable by using NMR Spectroscopy and Molecular Modeling.
"Rules of Engagement" of Protein-Glycoconjugate Interactions: A Molecular View Achievable by using NMR Spectroscopy and Molecular Modeling.
复制标题
DOI：
10.1002/open.201600024
复制
发表时间：
2016-08
期刊：
影响因子：
2.3
通讯作者：
Molinaro A
中科院分区：
文献类型：
--
作者：
Marchetti R;Perez S;Arda A;Imberty A;Jimenez-Barbero J;Silipo A;Molinaro A
了解蛋白质-配体相互作用的动力学，这是宿主-病原体识别的核心，是澄清结合事件中涉及的分子决定因素以及优化具有治疗目的的新分子设计的关键一步。在过去的十年中，在互补的生物物理和光谱方法的进步，使我们能够深入剖析与高分辨率的生物相关的分子识别过程的精细结构细节。这篇综述着重于现代核磁共振（NMR）技术的发展和应用，以剖析结合事件。这些光谱方法，补充X射线晶体学和分子建模方法，将被视为不可或缺的工具，以提供与生物医学应用相关的蛋白质-糖缀合物结合机制的全貌。
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.