Docking studies of the derivatives of 3-oxamoyl(succinoyl)amides of N-phenylanthranilic acids as Inhibitors of enzymes COX-1 and COX-2

Abstract

Conducted docking studies found that pharmacological activity is associated with inhibiting prostaglandin synthesis by new derivatives of N-phenylanthranilic acid by inhibiting enzyme activity by them, involved in different stages of cyclooxygenase pathway of metabolism of arachidonic acid: COX-1, COX-2. The obtained results indicate the possibility of the formation of stable complexes of the molecules of the synthesized substances with COX-1 and COX-2, in which the location of the ligands in the active center of the receptor and the residues of amino acids of side chains, involved in the formation of non-covalent bonds, are analogical to the geometry and types of binding of classical nonsteroidal anti-inflammatory drugs, established basing on crystallographic researches.