Etude in Silico de l’inhibition enzymatique par des molécules bioactives

Abstract

The COX-2 inhibitory activity of flavonoids belonging to the class of flavanones, flavones, flavonols and having hydroxyl functions in their structure has been modeled by in silico methods. These flavonoids bind with amino acids of the COX-2 active site, via hydrogen and hydrophobic interactions, and in a manner comparable to synthetic inhibitors of this enzyme.