Exploring DNA binding ability of two novel α-N-heterocyclic thiosemicarbazone palladium(II) complexes

J Inorg Biochem. 2020 Feb:203:110875. doi: 10.1016/j.jinorgbio.2019.110875. Epub 2019 Nov 6.

Abstract

One mononuclear and another dinuclear Pd(II) complexes bearing a α-N-heterocyclic thiosemicarbazone ligand have been synthesized, fully characterized and studied as biological agents. In both complexes, the palladium center is coordinated to 3,5-diacetyl-1,2,4-triazol bis(N4,N4-dimethylthiosemicarbazone) via three sites (N, N and S). Their binding ability to DNA has been evaluated using spectroscopic and biophysical techniques. Molecular docking and molecular dynamics calculations supports the existence of a minor groove binding mode between the studied compounds and DNA.

Keywords: 1,2,4-Triazole; DNA; Hexadentate; Palladium(II); Thiosemicarbazone; X-ray.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Coordination Complexes / chemical synthesis
  • Coordination Complexes / chemistry*
  • Coordination Complexes / metabolism
  • DNA / chemistry
  • DNA / metabolism*
  • Molecular Docking Simulation
  • Molecular Dynamics Simulation
  • Palladium / chemistry
  • Static Electricity
  • Thiosemicarbazones / chemical synthesis
  • Thiosemicarbazones / chemistry*
  • Thiosemicarbazones / metabolism

Substances

  • Coordination Complexes
  • Thiosemicarbazones
  • Palladium
  • DNA