Hajduk Philip J, Burns David J
Global Pharmaceutical Research and Development, Abbott Park, IL 60064, USA.
Comb Chem High Throughput Screen. 2002 Dec;5(8):613-21. doi: 10.2174/1386207023329996.
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.
基于核磁共振（NMR）的筛选已成为一种强大的方法，用于识别和分析与蛋白质靶点结合的低分子量有机化合物，并可用于药物发现项目。特别是，基于异核NMR的筛选能够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NMR的筛选在补充和促进传统高通量筛选项目方面具有广泛应用。本文将描述几种将基于NMR的筛选与高通量筛选相结合的策略。这两种技术的结合有望在对高通量筛选产生的命中物进行分类方面带来巨大益处，并有助于药物化学家识别具有进一步优化高潜力的优质先导物。
