NMR spectroscopy tools for structure-aided drug design

被引:61
作者
Homans, SW [1 ]
机构
[1] Univ Leeds, Sch Biochem & Mol Biol, Leeds LS2 9JT, W Yorkshire, England
关键词
drug design; ligand-protein interactions; NMR spectroscopy; proteins; screening;
D O I
10.1002/anie.200300581
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Biomolecular NMR spectroscopy has expanded dramatically in recent years and is now a powerful tool for the study of structure, dynamics, and interactions of biomolecules. Previous limitations with respect to molecular size are no longer a primary barrier, and systems as large as 900 kDa were recently studied. NMR spectroscopy is already well-established as an efficient method for ligand screening. A number of recently developed techniques show promise as aids in structure-based drug design, for example, in the rapid determination of global protein folds, the structural characterization of ligand-protein complexes, and the derivation of thermodynamic parameters. An advantage of the method is that all these interactions can be studied in solution-time-consuming crystallization is not necessary. This Review focuses on recent developments in NMR spectroscopy and how they might be of value in removing some of the current bottle-necks" in structure-based drug discovery."
引用
收藏
页码:290 / 300
页数:11
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