The role of structure-based ligand design and molecular modelling in drug discovery

被引：21
|
作者：
Tollenaere, JP [1 ]
机构：
[1] UNIV UTRECHT,FAC PHARM,DEPT PHARMACEUT CHEM,3508 TB UTRECHT,NETHERLANDS
来源：
PHARMACY WORLD & SCIENCE | 1996年 / 18卷 / 02期
关键词：
computer graphics; databases; drug design; molecular conformation; nuclear magnetic resonance; receptors; structure-activity relationship; X-ray diffraction;
D O I：
10.1007/BF00579706
中图分类号：
R9 [药学];
学科分类号：
1007 ;
摘要：
Structure-based ligand design is a technique that is used in the initial stages of a drug development programme, The role of various computational methods in the characterization of the chemical properties and behaviour af molecular symptoms is discussed. The determination of the three-dimensional properties of small molecules and macromolecular receptor structures is a core activity in the efforts towards a better understanding of structure-activity relationships.
引用
收藏
页码：56 / 62
页数：7
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