Synthesis, characterization, computational and biological activity of novel hydrazone complexes

ABSTRACT In this work, novel hydrazone ligands were prepared by the reaction of chloroanthranilic acid diazonium salt with acetylacetone (L1), ethyl acetoacetate (L2) and diethyl malonate (L3). The prepared compounds were reacted with some transition metals like Ni(II), Cu(II), and Fe(III). The structures of the prepared complexes were confirmed using nuclear magnetic resonance (1H-NMR and 13C-NMR), distortionless enhancement by polarization transfer (DEPT), heteronuclear single quantum coherence (HSQC-NMR), correlated spectroscopy (COSY-NMR), Fourier-transform infrared spectroscopy (FT-IR) and electrospray ionization mass spectrometry (ESI-MS). Also, the magnetic properties for the prepared complexes were studied using Gouy’s method of susceptibility measurement. Also, there in silico docking and in vitro antibacterial activities were investigated and the results showed that Ni complexes have the highest antimicrobial activity. The expected structures and conformers for the prepared ligands and complexes were examined and fully optimized using the level B3LYP/6-31G*