A new potential cyclooxygenase-2 inhibitor, pyridinic analogue of nimesulide

被引：24
|
作者：
Michaux, C
Charlier, C
Julémont, F
de Leval, X
Dogné, JM
Pirotte, B
Durant, F
机构：
[1] Fac Univ Notre Dame Paix, Lab Chim Biol Struct, B-5000 Namur, Belgium
[2] Univ Liege, Ctr Interfac Rech Pharmacochim Substances Nat & S, Lab Chim Pharmaceut, B-4000 Liege, Belgium
来源：
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY | 2005年 / 40卷 / 12期
关键词：
COX-2 selective inhibitor; molecular modeling studies; pyridinic compounds; interactions model;
D O I：
10.1016/j.ejmech.2005.08.003
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
In this paper, the binding mode of original pyridinic compounds structurally related to nimesulide, a preferential cyclooxygenase (COX)2 inhibitor, is analyzed by docking simulations in order to understand structure-activity relationships of this family. Structural modifications are proposed to reverse the selectivity of the more active inhibitor of the series characterized by a preferential activity on COX-1. On the basis of these modifications, a new compound with a bromo substituent was designed and showed a COX-2 selective inhibition. (c) 2005 Elsevier SAS. All rights reserved.
引用
收藏
页码：1316 / 1324
页数：9
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