Docking Studies of the Derivatives of 3-oxamoyl(succinoyl)amides of N-Phenylanthranilic Acids as Inhibitors of Enzymes COX-1 and COX-2

Suleiman MM; Gritsenko IS; Alferova DA; Drugovina VV; Sergienko EM

Abstract

Docking Studies of the Derivatives of 3-oxamoyl(succinoyl)amides of N-Phenylanthranilic Acids as Inhibitors of Enzymes COX-1 and COX-2

Author(s): Suleiman MM, Gritsenko IS, Alferova DA, Drugovina VV, Sergienko EM

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.

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