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Fast NMR Screening of Macromolecular Complexes by a Paramagnetic Spin Relaxation Filter
ACS Omega ( IF 4.1 ) Pub Date : 2018-03-12 00:00:00 , DOI: 10.1021/acsomega.7b02074
Luiz F Pinto 1 , Juan Correa 1 , Libo Zhao 1 , Ricardo Riguera 1 , Eduardo Fernandez-Megia 1
Affiliation  

The paramagnetic spin relaxation filter is described for the rapid NMR screening of intermolecular interactions between ligands and macromolecular anionic receptors with large transverse relaxation enhancements (R2p). The addition of micromolar concentrations of Gd3+ to the mixture produces the immediate broadening/suppression of the NMR signals of interacting species while leaving unaffected those of noncompetitive binders (one-dimensional and two-dimensional experiments). The method is highly sensitive, unveiling interactions that are too weak to generate changes in chemical shifts or relaxation times. It is operationally very simple and hence, it is amenable to ready implementation by nonspecialists. Examples of application such as detecting the formation of interpolymer complexes, cyclodextrin host–guest interactions, and the screening of DNA ligands are included that demonstrate the reliability and broad applicability of the method.

中文翻译:

通过顺磁自旋弛豫滤波器快速核磁共振筛选大分子复合物

顺磁自旋弛豫滤波器用于快速 NMR 筛选配体和大分子阴离子受体之间的分子间相互作用,具有较大的横向弛豫增强 ( R 2p )。向混合物中添加微摩尔浓度的 Gd 3+会立即展宽/抑制相互作用物质的 NMR 信号,同时不影响非竞争性结合剂的 NMR 信号(一维和二维实验)。该方法非常灵敏,可以揭示太弱而无法产生化学位移或弛豫时间变化的相互作用。它操作起来非常简单,因此适合非专业人员实施。包括检测互聚物复合物的形成、环糊精主客体相互作用以及 DNA 配体筛选等应用示例,证明了该方法的可靠性和广泛适用性。
更新日期:2018-03-12
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