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Issue 21, 2017
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Synthesis, crystal structures, molecular docking and in vitro cytotoxicity studies of two new copper(II) complexes: special emphasis on their binding to HSA

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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 complexes 1 and 2 are in slightly distorted square pyramidal environments, and fluorescence quenching experiments and calorimetry 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) spectroscopic investigations revealed that the complexes induced the alteration of hydrophobic environments and the decrease in the α-helix level of HSA during binding processes. Synchronous fluorescence spectra demonstrated that the binding sites of the complexes on HSA were close to the Trp-214 residue in the IIA subdomain, which was further verified by site marker competitive experiments and the molecular docking method. In vitro cytotoxicity experiments showed that the effective HSA-binding interactions enhanced the cytotoxicity of the complexes. Both 1 and 2 displayed strong anticancer activities against the Eca-109 cell line and induced cell death through the apoptosis pathway.

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

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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., 2017,41, 12429-12441
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    Synthesis, crystal structures, molecular docking and 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, 41, 12429
    DOI: 10.1039/C7NJ02351K

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