Facile synthesis and deliberate characterization for new hydrazide complexes; cyclic voltammetry, crystal packing, eukaryotic DNA degradation and in-silico studies

Abstract

New metal ion complexes were synthesized from new NO donor hydrazide ligand derived from acid hydrazide. All new synthesizes were investigated by all available analytical, spectral and theoretical tools. The ligand behaved as mononegative or neutral bidentate mode beside the effective presence of acetate group. UV–Vis microstate-transitions agree with octahedral configuration for most complexes except Cu(II) complex (square planer) which confirmed by Hamiltonian factors (g & f). While, Zn(II) complex is logically closes to tetrahedral configurations. TEM, XRD and EDX were performed for chosen complexes, to know some features of solid surfaces. Cyclic voltammogram for free Cu(II) ion, displayed clear broad reduction peak and almost one sharp oxidation peak. The electrochemical behavior was affected clearly in presence of the ligand. The structural forms were optimized for most compounds at suitable basis sets. Crystal models represent perfect contact surface with investigated crystals except Cd(II) complex. In-silico assay was carried out by Swiss-link (drug-likeness) and MOE-docking module, to evaluate the expected biological features. Distinguish lipophilicity and permeability were expected for Co(II), Ni(II) and Cu(II) complexes. Furthermore, MOE-docking performed, suggests Co(II), Ni(II) and Cu(II) complexes to form strong interaction with protein-pockets through allosteric binding types. Finally, preferable antibacterial behavior as well as electrophoretic mobility for calf-thymus DNA, were recorded almost with the same three complexes, in agreement with in-silico results.