NMR STRUCTURE-BASED DRUG DESIGN

被引：42

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

页码：261 / 269

页数：9

共 71 条

[41] ACCURATE MEASUREMENTS OF LONG-RANGE HETERONUCLEAR COUPLING-CONSTANTS FROM HOMONUCLEAR 2D NMR-SPECTRA OF ISOTOPE-ENRICHED PROTEINS [J].