Using NMR Spectroscopy in the Fragment‐Based Drug Discovery of Small‐Molecule Anticancer Targeted Therapies,ChemMedChem

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Using NMR Spectroscopy in the Fragment‐Based Drug Discovery of Small‐Molecule Anticancer Targeted Therapies
ChemMedChem ( IF 3.6 ) Pub Date : 2020-11-24 , DOI: 10.1002/cmdc.202000756
Benjamin Diethelm-Varela ₁

Affiliation

Against the challenge of providing personalized cancer care, the development of targeted therapies stands as a promising approach. The discovery of these agents can benefit from fragment‐based drug discovery (FBDD) methods that help guide ligand design and provide key structural information on the targets of interest. In particular, nuclear magnetic resonance spectroscopy is a promising biophysical tool in fragment discovery due to its detection capabilities and versatility. This review provides an overview of FBDD, describes the basis of NMR‐based fragment screening, summarizes some exciting technical advances reported over the past decades, and closes with a discussion of selected case studies where this technique has been used as part of drug discovery campaigns to produce lead compounds towards the design of anti‐cancer targeted therapies.

中文翻译：

在基于片段的小分子抗癌靶向治疗药物发现中使用核磁共振光谱

面对提供个性化癌症护理的挑战，靶向疗法的开发是一种很有前途的方法。这些药物的发现可以受益于基于片段的药物发现 (FBDD) 方法，这些方法有助于指导配体设计并提供有关目标靶标的关键结构信息。特别是，核磁共振波谱因其检测能力和多功能性而成为碎片发现中一种很有前途的生物物理工具。本综述概述了 FBDD，描述了基于 NMR 的片段筛选的基础，总结了过去几十年报道的一些令人兴奋的技术进步，并以对该技术已被用作药物发现活动的一部分的选定案例研究的讨论结束生产用于设计抗癌靶向疗法的先导化合物。

更新日期：2020-11-24

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