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Synthesis, crystal structures, molecular docking, in vitro cytotoxicity studies of two new copper(II) complexes: special emphasis on their binding to HSA

Abstract

Two new mixed-ligand copper(II) complexes, [Cu(PyTA)(L-Phe)Cl]·2H2O (1), [Cu(PyTA)(L-Met)Cl]·0.5H2O (2) (where PyTA = 2,4-diamino-6-(2’-pyridyl)-1,3,5-triazine, L-Phe = L-Phenylalanine, L-Met = L-Methionine), were synthesized and characterized by elemental analysis, IR, UV-vis, molar conductivity, ESI-MS, and X-ray crystal diffraction. The copper centers of 1 and 2 were discovered in slightly distorted square pyramidal environments. Fluorescence quenching experiments and calorimetric technique showed that the complexes bound to human serum albumin (HSA) with high affinities (binding constants KD = 3.71 × 106 L·mol-1 for 1 and 1.99 × 106 L·mol-1 for 2, 1 > 2). UV-vis and circular dichroism (CD) spectroscopies revealed that the complexes induced alteration of hydrophobic environments and decreasing in α-helix level of HSA during binding processes. Furthermore, synchronous fluorescence spectra demonstrated that the binding sites of the complexes on HSA were close to Trp-214 residue in IIA subdomain, which was further verified by site marker competitive experiments and molecular docking method. Moreover, the in vitro cytotoxicity experiments showed that the effective HSA-binding interactions enhanced the cytotoxicity of the complexes. Inspiringly, both 1 and 2 displayed strong anticancer activities against Eca-109 cell line and induced cell death through apoptosis pathway.

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Publication details

The article was received on 05 Jul 2017, accepted on 11 Sep 2017 and first published on 12 Sep 2017


Article type: Paper
DOI: 10.1039/C7NJ02351K
Citation: New J. Chem., 2017, Accepted Manuscript
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    Synthesis, crystal structures, molecular docking, in vitro cytotoxicity studies of two new copper(II) complexes: special emphasis on their binding to HSA

    F. Shen, Y. Liu, S. Li, C. Jiang, B. Wang, Y. Xiong, Z. Mao and X. Le, New J. Chem., 2017, Accepted Manuscript , DOI: 10.1039/C7NJ02351K

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