Integration of NMR and high-throughput screening
Integration of NMR and high-throughput screening
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DOI：
10.2174/1386207023329996
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发表时间：
2002-12-01
影响因子：
1.8
通讯作者：
Burns, DJ
中科院分区：
文献类型：
--
作者：
Hajduk, PJ;Burns, DJ
基于核磁共振的筛选已成为识别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，可用于药物发现项目。特别是，基于异核核磁共振的筛选可以产生有关潜在先导化合物的亲和力和结合位置的信息。此外，基于异核核磁共振的筛选在补充和促进传统的高通量筛选程序方面具有广泛的应用。本文将描述基于 NMR 的筛选和高通量筛选相结合的几种策略。这两种技术的结合有望为 HTS 命中的分类带来巨大的好处，并且可以帮助药物化学家识别具有进一步优化潜力的优质先导化合物。
NMR-based screening has become a powerful method for the identification and analysis of low-molecular 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.