Nuclear magnetic resonance (NMR) spectroscopy has evolved into a powerful tool within drug discovery over the last two decades. While traditionally being used by medicinal chemists for small molecule structure elucidation, it can also be a valuable tool for the identification of small molecules that bind to drug targets, for the characterization of target–ligand interactions and for hit-to-lead optimization. Here, we describe how NMR spectroscopy is integrated into the Pfizer drug discovery pipeline and how we utilize this approach to identify and validate initial hits and generate leads.

中文翻译：

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NMR光谱：药物发现的瑞士军刀。

过去二十年来，核磁共振（NMR）光谱已发展成为药物发现领域的强大工具。传统上，药物化学家通常使用它来阐明小分子结构，但它也可以成为鉴定与药物靶标结合的小分子，表征靶标-配体相互作用以及实现从头至尾优化的有价值的工具。在这里，我们描述了如何将NMR光谱技术整合到辉瑞公司的药物开发流程中，以及我们如何利用这种方法来识别和验证初始点击并生成潜在客户。