Oxovanadium(IV) complex of 8-hydroxy quinoline and 3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione: Experimental, theoretical and antibacterial evaluation

Streptococcus pyogenes and E. coli are causative agents of millions of illness. In conspicuous interests to design antibiotic compounds against these bugs, a novel oxovanadium(IV) complex containing dehydroacetic acid (3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione) and 8-hydroxy quinoline was synthesized and characterized. Elemental analyses, thermal degradation, molar conductance, magnetic susceptibility, EPR, mass spectrometry and FT-IR spectral techniques were used to formulate the compound. Theoretical aspects like geometrical optimization, molecular charge density plots and DFT based spectroscopy were also invoked using Gaussian 09 software package by the help of Becke-3-Lee-Yang-Parr (B3LYP) hybrid exchange-correlation functional and the standard basis set LANL2DZ. At each step of characterization, theoretical and experimental results were compared to arrive at the best fit results. From the different spectral analyses a suitable octahedral structure can be proposed for the complex. In addition to formulation, the complex and dhaH were biologically tested against some bacterial strains. The target complex was found less bactericidal against E. coli, but the results have shown satisfactory bacterial activity against S. pyogenes. (C) 2018 The Authors. Production and hosting by Elsevier B.V. on behalf of King Saud University.