Syntheses, crystal structures, DNA binding, DNA cleavage, molecular docking and DFT study of Cu(II) complexes involving N2O4 donor azo Schiff base ligands
authors Banerjee, S; Ghorai, P; Brandao, P; Ghosh, D; Bhuiya, S; Chattopadhyay, D; Das, S; Saha, A
nationality International
journal NEW JOURNAL OF CHEMISTRY
keywords DENSITY-FUNCTIONAL THEORY; EFFECTIVE CORE POTENTIALS; SET MODEL CHEMISTRY; COPPER(II) COMPLEXES; METAL-COMPLEXES; PHOTOLUMINESCENCE PROPERTIES; EXCITATION-ENERGIES; CHEMICAL NUCLEASES; ANTITUMOR-ACTIVITY; AZOMETHINE LIGAND
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 (K-b) were calculated to be 7.11 x 10(5) M-1, 8.36 x 10(5) M-1 and 10.81 x 10(5) M-1 for complexes 1-3, respectively. The complexes show interesting supramolecular architectures in the solid state mainly supported by pi-pi stacking interactions.
publisher ROYAL SOC CHEMISTRY
issn 1144-0546
year published 2018
volume 42
issue 1
beginning page 246
ending page 259
digital object identifier (doi) 10.1039/c7nj03293e
web of science category Chemistry, Multidisciplinary
subject category Chemistry
unique article identifier WOS:000418369000026
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journal impact factor 3.288
5 year journal impact factor 3.153
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