Exploring the Interaction Between the Ni(II) Complex based on Schiff Base ligand and FS-DNA: synthesis, characterization, X-ray structure determination, Spectroscopic Methods and Docking Simulation

A new complex with the formula [NiL2] (a) was synthesized. L is Schiff base ligand and HL is identified as N-(2-hydroxy-1-naphthylidene)-2-methyl aniline. The compound was characterized by FT-IR, UV-Vis, elemental analysis, and crystal X-ray diffraction methods. The X-ray diffraction results confirmed that [NiL2] (a) adopts a regular square-planar geometry. The interactions of complex (a) with FS-DNA (salmon sperm DNA) have been studied using UV–Vis, fluorescence spectroscopies and Gel electrophoresis. The binding constant (Kb), and the apparent bio molecular quenching constant (kq) for FS-DNA were obtained through Stern–Volmer equation. Thermodynamic parameters data (∆H°, ΔS° and ΔG°) showed that hydrogen bonding and van der Waals interactions have an important function in the interaction of the DNA–Ni(II) complex and the binding mode is the groove binding. This dual finding highlights the complex's nuanced influence on DNA structure and emphasizes the importance of using multiple analytical techniques to fully understand metal-DNA interactions.