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.
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
subject category
Chemistry
authors
Banerjee, S; Ghorai, P; Brandao, P; Ghosh, D; Bhuiya, S; Chattopadhyay, D; Das, S; Saha, A
our authors
Paula Cristina Ferreira da Silva Brandão
Assistant Researcheracknowledgements
A. S. gratefully acknowledges the financial support of this work by the DST, India (Sanction No. SB/FT/CS-102/2014, dated-18.07.2015). D. G. gratefully acknowledges the financial support of this work by DST, India, vide sanction no. SB/FT/LS-444/2012.