Computational, spectroscopic, sensor and biological studies of Cu(II) complex of Fluoro substituted Schiff base

Abstract

Schiff base ligand (FHPB - 2-[N-(fluorophenyl)-4‑hydroxy-4-phenyl] 3-butene), and its copper complex Cu[FHPB]2 were prepared and the structural framework of prepared compounds were characterized by analytical, spectroscopic and DFT calculation techniques. The result suggests that, prepared Cu[FPB]2 complex possesses square planar geometry. Electrochemical studies reveal that Cu[FPB]2 complex is quasi reversible in nature. Sensing ability of prepared ligand with various cations were analyzed by absorption and emission spectral techniques and infer that the ligand FHPB is highly sensitive and selective sensor for the Cu2+ ion as compared to other selected metal ions. Antimicrobial activities of FHPB and Cu[FPB]2 against selected bacterial and fungal strains were checked by Disc Diffusion method. DNA interaction of prepared compounds were analyzed by spectrophotometric and spectrofluorometric techniques. The analysis illustrates that the synthesized compounds interact with calf thymus DNA by the way of an intercalation mode. Moreover, the binding ability of FHPB and Cu[FPB]2 were demonstrated by molecular docking and it evidences the strong binding with CT-DNA double helix.

Keywords

• Fluoro-schiff base
• Cu(ii) complex
• Dft
• DNA binding
• molecular docking