Paramagnetic relaxation enhancement for protein-observed (19)F NMR as an enabling approach for efficient fragment screening.
Paramagnetic relaxation enhancement for protein-observed (19)F NMR as an enabling approach for efficient fragment screening.
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DOI：
10.1039/c6ra21226c
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发表时间：
2016
期刊：
影响因子：
3.9
通讯作者：
Pomerantz WCK
中科院分区：
文献类型：
--
作者：
Hawk LML;Gee CT;Urick AK;Hu H;Pomerantz WCK
蛋白质观察的19F（PrOF）NMR是用于配体发现的新兴工具。为了优化PrOF NMR实验的效率，使用通过添加螯合的Ni（II）的顺磁弛豫增强来缩短纵向弛豫时间而不引起显著的谱线加宽。因此，增强弛豫时间导致更短的实验，而不干扰低或高亲和力配体的结合。该方法允许在基于片段的配体发现的日益增长的领域中对各种蛋白质的潜在配体进行时间有效的筛选。
Protein-observed 19F (PrOF) NMR is an emerging tool for ligand discovery. To optimize the efficiency of PrOF NMR experiments, paramagnetic relaxation enhancement through the addition of chelated Ni(II) was used to shorten longitudinal relaxation time without causing significant line broadening. Thus enhancing relaxation time leads to shorter experiments without perturbing the binding of low- or high-affinity ligands. This method allows for time-efficient screening of potential ligands for a wide variety of proteins in the growing field of fragment-based ligand discovery.