A new hydrazone ligand and its cu(II) and cd(II) complexes: Interaction with DNA and HSA, molecular docking and DFT calculations

چکیده مقاله

The present work includes the condensation of isophthalaldehyde with p-toluic hydrazide in ethanolic solution to prepare the Schiff base ligand. In the following, the resulting tetradentate ligand (H2L) was complexed with copper(II) and cadmium(II) to form Cu2L2 and [Cd2(H2L)2Cl2]Cl2, respectively. In order to identify synthesized samples, FT-IR spectra, 1H NMR spectra, elemental analyses and UV–Vis methods were used. The interaction of fish salmon-DNA (FS-DNA) and human serum albumin (HSA) with all synthesized compounds were explored with the help of UV–vis absorption, fluorescence and molecular docking methods. According to the investigations, it was confirmed that the ligand and its complexes bind to DNA and HSA through Van der Waals interactions and hydrogen bonds. Moreover, density functional theory (DFT) studies of synthesis complexes were performed to determine the structural and electronic properties.