Docking and 3-D QSAR studies of dual PDE4-PDE7 inhibitors

被引：3
|
作者：
Kang, N. S. [1 ]
Jhon, D. J. [1 ]
Song, J. H. [1 ]
Yoo, S. -E. [1 ]
机构：
[1] Korea Res Inst Chem Technol, Taejon 305600, South Korea
来源：
MOLECULAR SIMULATION | 2007年 / 33卷 / 14期
关键词：
docking; PDE4; PDE7; 3D-QSAR; inhibitor design;
D O I：
10.1080/08927020701630205
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Small dual-specificity molecules inhibiting PDE4 and PDE7 can be used to treat inflammatory diseases. To design and synthesize dual PDE4 and PDE7 inhibitors, we carried out the target-based docking and the 3D QSAR study using CoMFA. Three compounds were synthesized. We predicted their inhibitory activities using our 3D QSAR model and tested their activities against PDE4 and PDE7 in vitro.
引用
收藏
页码：1109 / 1117
页数：9
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