Synthesis, characterization, DNA binding, antibacterial, antidiabetic, molecular docking and DFT studies of Ni(II), Cu(II) and Zn(II) complexes derived from heterocyclic schiff base.

Novel metal complexes of nickel(II), copper(II) and zinc(II) have been synthesized and characterized. DFT‐based molecular orbital energy calculations of the synthesized ligand and metal complexes have been studied. Ligand and its complexes were screened for their antibacterial activities by disk diffusion method. The quantitative antimicrobial activity of the test compounds was evaluated using Resazurin based Microtiter Dilution Assay. The interaction of these complexes with Herring sperm DNA (HS-DNA) was analyzed via UV–Visible absorption, circular dichroism and Voltammetric studies, which indicates that these complexes bind to HS-DNA by intercalation binding mode. Molecular docking was also used to identify the interaction between ligand and complexes with DNA. α-Amylase inhibition activity of ligand its metal complexes has been determined by DNS method. Kinetic studies were carried out to identify the mode of inhibition using Lineweaver-Burk plot. The cytotoxicity of these metal complexes has been evaluated by MTT assay against normal 3T3L1 cells. [ABSTRACT FROM AUTHOR]

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