A trinuclear copper (II) complex of naproxen-appended salicylhydrazide: Synthesis, crystal structure, DNA binding and molecular docking study

A trinuclear copper complex [Cu-3(napxshz)(2)(phen)(2)] has been synthesised using a tribasic naproxen-appended ligand [H(3)napxshz = 2-hydroxy-N '-(2-[6-methoxynaphthalen-2-yl] propanoyl) benzohydrazide] and 1,10-phenanthroline. The complex was characterised by different spectroscopic methods such as Fouriertransform infrared (FT-IR), ultraviolet-visible (UV-Vis) and electrospray ionisation (ESI)-mass spectroscopy. The solid-state structure of the ligand and complex 1 was established by single-crystal X-ray diffraction analysis. The interaction of the complex and the ligand with DNA was investigated by UV-visible spectroscopy and fluorometric titrations. The calculated binding constants (K-b) of the complex and the ligand with ct-DNA show that the complex has a higher binding affinity than the ligand H(3)napxshz. Quantum chemical calculations were performed to understand the structural aspects of the complex and its interactions with DNA. The molecular docking study reveals the interaction between DNA, and the complex is in intercalative mode.

Automated summary

A trinuclear copper complex was synthesized using a tribasic naproxen-appended ligand and 1,10-phenanthroline, characterized by various spectroscopic methods and X-ray diffraction analysis. The complex showed higher binding affinity with DNA compared to the ligand, and molecular docking study revealed an intercalative mode of interaction between the complex and DNA.