Synthesis, Characterization, AMDET and DOCKING studies of novel diclofenac derivatives containing phenylalanine moiety acting as selective inhibitors against cyclooxygenase (COX-2)

Abstract

The present work aims to synthesize novel diclofenac derivatives containing L-phenylanline moiety.  In order to gain inhibition actions of  the synthesized compounds against cyclooxygenases, its compounds were docked  into the active sites of (COX-1 and COX-2). The calculations in-silico were predicted that, lowest energies of docked poses for compounds were interacted with residues of active site, perhaps making them possible selective inhibitors against (COX-2) and physiologically  active. The binding scores of some compounds like 7, 12 and 16 were compared with reference drug, and show extensive interactions with the targets, which may considered them a suitable selective inhibitor against   (COX-2).

Keywords: Phenylalanine, Diclofenac, COX, DOCKING,  ADMET.