Synthesis, Characterization, and Docking Evaluations of New Derivatives of Pyrimido[4,5-c]pyridazine as Potential Human AKT1 Inhibitors

A number of new derivatives of pyrimido[4,5-c]pyridazine have been synthesized from the treatment of 6-acetyl-3-amino-2,5-diphenyl-2,5-dihydropyridazine-4-carbonitrile (1) as precursor with various reactants obtained quantitatively the desired products (2), (5), (7), and (9a, 9b, 9c, 9d, 9e). The structures of all the synthesized products have been elucidated thoroughly. The potential AKT1 inhibitory activities of these new synthesized compounds have also been studied by docking calculations, which have been performed in Gold 5.2 software using Genetic algorithm.