Synthesis, spectral characterization, computational studies, antifungal, DNA interaction, antioxidant and fluorescence property of novel Schiff base ligand and its metal chelates

Abstract

Cobalt, Copper, Nickel and Zinc coordinated metal complexes were synthesized by novel thiazole Schiff base ligand 2-ethoxy-4-((5-methylthiazol-2-ylimino)methyl) phenol derived from 3-ethoxy-4-hydroxybenzaldehyde and 2-amino- 5-methylthiazol. The synthesized compounds were spectrochemically characterized by elemental analysis, molar conductance, FT-IR, UV–Vis, Mass spectral analysis, Powdered-XRD and cyclic voltammetry. The thermal stability of synthesized complexes were investigated by using thermogravimetric analysis (TGA). Theoretical computational study were performed for all the synthesized compounds utilizing the DFT/B3LYP method at the 6-31G basic set for Schiff base ligand whereas LANL2DZ basis set for metal complexes. Molecular Electrostatic Potential (MEP), HOMO-LUMO, Mulliken charges and global reactivity descriptors, including chemical potential (μ), global softness (S), chemical hardness (η), and electrophilicity index (ω) were measured and correlated with antimicrobial activity. The synthesized thiazole Schiff base ligand and its coordinated metal complexes shows good antifungal agreement against Fusarium Oxysporum and Aspergillus Niger species. These compounds also exhibit DNA binding, DNA cleaving and antioxidant activity. All the synthesized molecules indicate potential fluorescence property.