19 F NMR viewed through two different lenses: ligand-observed and protein-observed 19F NMR applications for fragment-based drug discovery,RSC Chemical Biology

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19 F NMR viewed through two different lenses: ligand-observed and protein-observed 19F NMR applications for fragment-based drug discovery
RSC Chemical Biology ( IF 4.2 ) Pub Date : 2021-07-12 , DOI: 10.1039/d1cb00085c
Caroline R Buchholz ₁ , William C K Pomerantz _{1,

2}

Affiliation

¹⁹ F NMR has emerged as a powerful tool in drug discovery, particularly in fragment-based screens. The favorable magnetic resonance properties of the fluorine-19 nucleus, the general absence of fluorine in biological settings, and its ready incorporation into both small molecules and biopolymers, has enabled multiple applications of ¹⁹F NMR using labeled small molecules and proteins in biophysical, biochemical, and cellular experiments. This review will cover developments in ligand-observed and protein-observed ¹⁹F NMR experiments tailored towards drug discovery with a focus on fragment screening. We also cover the key advances that have furthered the field in recent years, including quantitative, structural, and in-cell methodologies. Several case studies are described for each application to highlight areas for innovation and to further catalyze new NMR developments for using this versatile nucleus.

中文翻译：

通过两种不同的视角观察 19 F NMR：配体观察和蛋白质观察 19F NMR 在基于片段的药物发现中的应用

¹⁹ F NMR 已成为药物发现的强大工具，特别是在基于片段的筛选中。氟 19 核的有利磁共振特性、生物环境中普遍不存在氟以及其易于掺入小分子和生物聚合物中，使得 19 F NMR 使用标记的小分子和蛋白质在生物物理、生物化学中得到多种^应用。和细胞实验。本综述将涵盖针对药物发现而定制的配体观察和蛋白质观察¹⁹ F NMR 实验的进展，重点是片段筛选。我们还介绍了近年来推动该领域发展的关键进展，包括定量、结构和细胞内方法。针对每种应用描述了几个案例研究，以突出创新领域并进一步促进使用这种多功能核的新 NMR 开发。

更新日期：2021-07-16

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