LAUSR

Abstract New pyrimidin-imide derivatives 2-7 were synthesized by a condensation reaction of 4,6-diphenylpyrimidin-2-amine 1 with different anhydrides. The synthesized compounds have been investigated and put under several studies suc as, in vitro and in silico techniques, Lipinski's rule of five (RO5), semiempirical (PM6) computational calculations in addition of some physicochemical parameters measurments to evaluate their biological effect against Penicillin-Binding Protein 3 (PBP3) from Escherichia coli. These studies revealed that the newly synthesized pyrimidin-imides have minimum binding energy and good affinity especialy for ligand molecule 5 which may be considered a promising inhibitor for the PBP3 protein. The structures of all newly derivatives were unambiguously confirmed by their elemental and spectral analyses IR, 1H NMR, 13C NMR, and MS.