用于药物研发的 REDOR NMR。
REDOR NMR for drug discovery.
机构信息
Department of Chemistry, Stanford University, Stanford, CA 94305, USA.
出版信息
Bioorg Med Chem Lett. 2013 Nov 1;23(21):5767-75. doi: 10.1016/j.bmcl.2013.08.064. Epub 2013 Aug 22.
Abstract
Rotational-echo double-resonance (REDOR) NMR is a powerful and versatile solid-state NMR measurement that has been recruited to elucidate drug modes of action and to drive the design of new therapeutics. REDOR has been implemented to examine composition, structure, and dynamics in diverse macromolecular and whole-cell systems, including taxol-bound microtubules, enzyme-cofactor-inhibitor ternary complexes, and antibiotic-whole-cell complexes. The REDOR approach involves the integrated design of specific isotopic labeling strategies and the selection of appropriate REDOR experiments. By way of example, this digest illustrates the versatility of the REDOR approach, with an emphasis on the practical considerations of experimental design and data interpretation.
摘要
旋转回波双共振（REDOR）NMR 是一种强大且多功能的固态 NMR 测量技术，已被用于阐明药物作用模式并推动新疗法的设计。REDOR 已被用于研究各种大分子和全细胞系统中的组成、结构和动力学，包括紫杉醇结合微管、酶辅因子抑制剂三元复合物和抗生素-全细胞复合物。REDOR 方法涉及特定同位素标记策略的集成设计和适当 REDOR 实验的选择。本文通过实例说明了 REDOR 方法的多功能性，重点介绍了实验设计和数据解释的实际考虑因素。
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