Walpole Samuel, Monaco Serena, Nepravishta Ridvan, Angulo Jesus
School of Pharmacy, University of East Anglia, Norwich Research Park, Norwich, United Kingdom.
School of Pharmacy, University of East Anglia, Norwich Research Park, Norwich, United Kingdom.
Methods Enzymol. 2019;615:423-451. doi: 10.1016/bs.mie.2018.08.018. Epub 2018 Sep 14.
STD NMR is a powerful ligand-based tool for screening small molecules and low molecular weight fragments for their interaction with a given macromolecule. Such information is invaluable both in the drug discovery sector and in understanding fundamental biological interactions. Recently, powerful methods have been developed to extract a greater wealth of information from the STD NMR experiment, including ligand binding epitopes, dissociation constant determination, and mapping of binding site properties. Herein we describe these STD NMR experiments, giving practical examples for each approach, and highlight the important parameters and common pitfalls that must be considered for a successful experiment.
STD NMR是一种强大的基于配体的工具,用于筛选小分子和低分子量片段与给定大分子的相互作用。此类信息在药物发现领域以及理解基本生物相互作用方面都具有极高价值。最近,已经开发出强大的方法,可从STD NMR实验中提取更丰富的信息,包括配体结合表位、解离常数测定以及结合位点性质的图谱绘制。在此,我们描述这些STD NMR实验,为每种方法提供实际示例,并强调成功进行实验必须考虑的重要参数和常见陷阱。