Issue 1, 2018

Syntheses, crystal structures, DNA binding, DNA cleavage, molecular docking and DFT study of Cu(ii) complexes involving N2O4 donor azo Schiff base ligands

Abstract

Here, we have reported three novel copper(II) complexes (1–3) involving azo Schiff base ligands. All the complexes have been well characterized using different spectroscopic tools and single crystal X-ray diffraction analysis. Structural and electronic parameters of the complexes have been justified by DFT and TDDFT computation. All the complexes showed minor groove binding to the AT-rich sequence of DNA. The binding properties of the complexes have been extensively studied, and are further supported by a molecular docking analysis. These complexes also showed H2O2-mediated DNA cleavage properties involving a hydroxyl radical. MTT assay of the complexes was performed and they were found to be cytotoxic. The intrinsic binding constants (Kb) were calculated to be 7.11 × 105 M−1, 8.36 × 105 M−1 and 10.81 × 105 M−1 for complexes 1–3, respectively. The complexes show interesting supramolecular architectures in the solid state mainly supported by π–π stacking interactions.

Graphical abstract: Syntheses, crystal structures, DNA binding, DNA cleavage, molecular docking and DFT study of Cu(ii) complexes involving N2O4 donor azo Schiff base ligands

Supplementary files

Article information

Article type
Paper
Submitted
05 Sep 2017
Accepted
09 Nov 2017
First published
09 Nov 2017

New J. Chem., 2018,42, 246-259

Syntheses, crystal structures, DNA binding, DNA cleavage, molecular docking and DFT study of Cu(II) complexes involving N2O4 donor azo Schiff base ligands

S. Banerjee, P. Ghorai, P. Brandão, D. Ghosh, S. Bhuiya, D. Chattopadhyay, S. Das and A. Saha, New J. Chem., 2018, 42, 246 DOI: 10.1039/C7NJ03293E

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