Fabricate, advancement, molecular docking and DNA reactivity of preferred divalent metal(II) complexes attributing (E)- N'-((6-hydroxybenzo[ d]oxazol-5-yl) methylene)isonicotinohydrazide

Nucleosides Nucleotides Nucleic Acids. 2022;41(9):824-840. doi: 10.1080/15257770.2022.2081704. Epub 2022 May 30.

Abstract

A series of metal(II) complexes (M=Co (II), Ni(II) and Cu(II)) supported by Schiff base ligand (L=(E)-N'-((6-hydroxybenzo[d]oxazol-5-yl)methylene)isonicotinohydrazide) has been designed and developed from condensation of 6-hydroxybenzo[d]oxazole-5-carbaldehyde and isoniazid. The ligand (H2L) and its metal(II) complexes were structurally characterized utilizing a variety of physicochemical and spectroscopic approaches. The study shows that Schiff bases (H2L) act as monobasic tridentate ONO ligand and conform to octahedral geometry according to the general formula [M(HL)2]. Furthermore, the interaction of these complexes with CT-DNA was investigated at pH = 7.2, utilizing UV-visible absorption, and viscosity measurement. In order to determine the mechanism of binding of the metal(II) complexes to the B-DNA dodecamer, docking studies were conducted using an AutoDock Vina 1.2.0 tool. The photo induced cleavage reveals that the ligand (H2L) and its complexes have UV-visible photo nuclease properties against pUC19 DNA by agarose gel electrophoresis technique. Studies showed that the complexes evaluated firmly bind to CT-DNA via intercalative mode and provides a distinctive pattern of DNA binding.

Keywords: DNA reactivity; Schiff base; isonicotinohydrazide; metal(II) chelates; molecular docking.

MeSH terms

  • Coordination Complexes* / chemistry
  • DNA / chemistry
  • Isoniazid
  • Ligands
  • Molecular Docking Simulation
  • Schiff Bases / chemistry

Substances

  • Coordination Complexes
  • Ligands
  • Schiff Bases
  • DNA
  • Isoniazid