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Integration of NMR and High-Throughput Screening

机译：NMR和高通量筛选的集成

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摘要

NMR-based screening has become a powerful method for the identification and analysis of lowmolecular weight organic compounds that bind to protein targets and can be utilized in drug discovery programs. In particular, heteronuclear NMR-based screening can yield information about both the affinity and binding location of potential lead compounds. In addition, heteronuclear NMR-based screening has wide applications in complementing and facilitating conventional high-throughout screening programs. This article will describe several strategies for the integration of NMR-based screening and high-throughput screening. The marriage of these two techniques promises to be of tremendous benefit in the triage of hits that come from HTS, and can aid the medicinal chemist in the identification of quality leads that have high potential for further optimization.
机译：基于NMR的筛选已成为鉴定和分析与蛋白质靶标结合的低分子量有机化合物的强大方法，可用于药物发现程序。特别是，基于异核NMR的筛选可以得出有关潜在先导化合物的亲和力和结合位置的信息。此外，基于异核NMR的筛选在补充和促进常规高通量筛选程序方面具有广泛的应用。本文将介绍几种基于NMR的筛选和高通量筛选相结合的策略。这两种技术的结合有望在对HTS命中分类中产生巨大的好处，并且可以帮助药用化学家确定具有进一步优化潜力的高质量潜在客户。

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