NMR STRUCTURE-BASED DRUG DESIGN

被引：41
|
作者：
FESIK, SW
机构：
[1] Pharmaceutical Discovery Division D-47G, AP9 Abbott Laboratories, Abbott Park, 60064, IL
来源：
JOURNAL OF BIOMOLECULAR NMR | 1993年 / 3卷 / 03期
关键词：
DRUG DESIGN; MOLECULAR MODELING; 3D DATABASE SEARCHING; HETERONUCLEAR MULTIDIMENSIONAL NMR;
D O I：
10.1007/BF00212513
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
NMR is a useful tool for rapidly determining the conformations of receptor-bound ligands and identifying those protions of the ligand in contact with the receptor. In addition, the complete 3D structures of receptors and ligand/receptor complexes can be obtained using recently developed heteronuclear multi-dimensional NMR techniques. This NMR-derived structural information is potentially useful for aiding in the design of improved pharmaceutical agents. Approaches for utilizing the NMR-derived structural information along with the computational tools that facilitate this process are discussed.
引用
收藏
页码：261 / 269
页数：9
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