Synthesis, Antioxidant, Molecular Docking and DNA Interaction Studies of Metal-Based Imine Derivatives

Molecules. 2023 Aug 7;28(15):5926. doi: 10.3390/molecules28155926.

Abstract

Currently, numerous ongoing studies are investigating the interaction of free radicals with biological systems, such as lipids, DNA and protein. In the present work, synthesis, characterization, antioxidant, DNA binding and molecular docking studies of Schiff base ligand and its Ni(II), Co(II), Cu(II) and Zn(II) were evaluated. The metal complexes have shown significant dose-dependent antioxidant activities higher than those of the free ligand but lesser than those of the standard antioxidant, ascorbic acid. The DNA binding constants (Kb) were found in the order Zn(pimp)2 {9.118 × 105 M-1} > H-pimp {3.487 × 105 M-1} > Co(pimp)2 {3.090 × 105 M-1} > Ni(pimp)2 {1.858 × 105 M-1} > Cu(pimp)2 {1.367 × 105 M-1}. Binding constants (Kb) values calculated from the molecular docking analysis were found to be in close agreement with the experimental results. The obtained results indicate the importance of synthesis complexes as a source of synthetic antioxidants and anticancer drugs.

Keywords: DNA binding; Schiff base metal complexes; antioxidant; molecular docking.

MeSH terms

  • Antioxidants* / chemistry
  • Antioxidants* / pharmacology
  • Coordination Complexes* / chemistry
  • DNA / chemistry
  • Imines
  • Ligands
  • Metals / chemistry
  • Molecular Docking Simulation
  • Schiff Bases / chemistry

Substances

  • Antioxidants
  • Imines
  • Ligands
  • Metals
  • DNA
  • Schiff Bases
  • Coordination Complexes

Grants and funding

Authors are thankful to researchers supporting project number (RSP2023R335), King Saud University, Riyadh, Saudi Arabia.