New Look on 3-Hydroxyiminoflavanone and Its Palladium(II) Complex: Crystallographic and Spectroscopic Studies, Theoretical Calculations and Cytotoxic Activity

Molecules. 2016 Apr 13;21(4):455. doi: 10.3390/molecules21040455.

Abstract

This work presents the synthesis, spectroscopic properties and single-crystal X-ray examination of the structure of 3-hydroxyiminoflavanone and its palladium complex. It presents the results of NMR (Nuclear Magnetic Resonance) spectroscopy, electron-density studies based on X-ray wavefunction refinement and theoretical calculations combined with QTAIM (Quantum Theory of Atoms in Molecules) and ELI-D (Electron Localizability Indicator) analyses. These offer an interesting new insight into the structures and behavior of flavanone and its complex, in solid state and in solution. The study also examines the cytotoxicity of the ligand and its complex against three human ovarian and lung cancer cell lines.

Keywords: 3-hydroxyiminoflavanone; NMR spectroscopy; X-ray crystallography; X-ray wavefunction refinement; cytotoxicity; palladium(II) complex.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Cell Line, Tumor
  • Cell Proliferation / drug effects*
  • Crystallography, X-Ray
  • Flavanones / chemistry*
  • Flavanones / therapeutic use
  • Humans
  • Magnetic Resonance Spectroscopy
  • Neoplasms / drug therapy
  • Oximes / chemistry*
  • Oximes / therapeutic use
  • Palladium / chemistry*
  • Quantum Theory

Substances

  • Flavanones
  • Oximes
  • Palladium