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

作者信息

Michaux Catherine, Charlier Caroline, Julémont Fabien, de Leval Xavier, Dogné Jean-Michel, Pirotte Bernard, Durant François

机构信息

Laboratoire Chimie Biologique Structurale, Facultés Universitaires N.-D. de la Paix, 61, rue de Bruxelles, B-5000 Namur, Belgium.

出版信息

Eur J Med Chem. 2005 Dec;40(12):1316-24. doi: 10.1016/j.ejmech.2005.08.003. Epub 2005 Oct 11.

DOI:10.1016/j.ejmech.2005.08.003

PMID:16225966

Abstract

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.

摘要

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