Design of a gene family screening library targeting G-protein coupled receptors

被引：5

作者：

Lamb, ML ^{[1
]}

Bradley, EK ^{[1
]}

Beaton, G ^{[1
]}

Bondy, SS ^{[1
]}

Castellino, AJ ^{[1
]}

Gibbons, PA ^{[1
]}

Suto, MJ ^{[1
]}

Grootenhuis, PDJ ^{[1
]}

机构：

[1] Deltagen Res Labs, Redwood City, CA 94063 USA

来源：

JOURNAL OF MOLECULAR GRAPHICS & MODELLING | 2004年 / 23卷 / 01期

关键词：

gene family screening library; G-protein coupled receptors; mu-opioid receptor; pharmacophore; combinational library design;

D O I：

10.1016/j.jmgm.2004.03.001

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

An iterative process for the design of a G-protein coupled receptor (GPCR) gene family screening library has been developed. A key element of this process is the computational generation of pharmacophore descriptors of known GPCR ligands. Subsequent iterative analysis allows prioritization of scaffolds and sub-libraries for inclusion in the library. The final library, which consisted of 13,769 compounds, displayed a 2.6% hit rate when screened against the mu-opioid receptor. (C) 2004 Elsevier Inc. All tights reserved.

引用

收藏

页码：15 / 21

页数：7

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