Synthesis and anti-cancer investigations of copper(II) complexes based on adenine

Zhai, Xiaoyan; Hanibah, Hussein; Hashim, Nor Zakiah Nor; Zhang, Juzheng; Ma, Xianli; Wei, Lilan; Zhou, Xiaoqun

doi:10.1016/j.molstruc.2024.138836

Journal of Molecular Structure

2024

DOI: 10.1016/j.molstruc.2024.138836

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Synthesis and anti-cancer investigations of copper(II) complexes based on adenine

Xiaoyan Zhai,

Hussein Hanibah,

Nor Zakiah Nor Hashim

et al.

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2024

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The Counterion (SO42− and NO3−) Effect on Crystallographic, Quantum-Chemical, Protein-, and DNA-Binding Properties of Two Novel Copper(II)–Pyridoxal-Aminoguanidine Complexes

Jevtovic,

Golubović,

Alshammari

et al. 2024

Crystals

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New Cu(II) complexes with pyridoxal-aminoguanidine (PLAG) ligands and different counterions (SO42− and NO3−) were prepared and their crystal structures were solved by the X-ray crystallography. The geometries of the obtained complexes significantly depended on the counterions, leading to the square-pyramidal structure of [Cu(PLAG)NO3H2O]NO3 (complex 1) and square-planar structure of [Cu(PLAG)H2O]SO4 (complex 2). The intermolecular interactions were examined using the Hirshfeld surface analysis. The theoretical structures of these complexes were obtained by optimization at the B3LYP/6-311++G(d,p)(H,C,N,O,S)/LanL2DZ(Cu) level of theory. The Quantum Theory of Atoms in Molecules (QTAIM) was applied to assess the strength and type of the intramolecular interactions and the overall stability of the structures. The interactions between the complexes and transport proteins (human serum albumin (HSA)) and calf thymus DNA (CT-DNA) were examined by spectrofluorometric/spectrophotometric titration and molecular docking. The binding mechanism to DNA was assessed by potassium iodide quenching experiments. The importance of counterions for binding was shown by comparing the experimental and theoretical results and the examination of binding at the molecular level.

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The Counterion (SO42− and NO3−) Effect on Crystallographic, Quantum-Chemical, Protein-, and DNA-Binding Properties of Two Novel Copper(II)–Pyridoxal-Aminoguanidine Complexes

Jevtovic,

Golubović,

Alshammari

et al. 2024

Crystals

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show abstract

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Synthesis and anti-cancer investigations of copper(II) complexes based on adenine

Cited by 1 publication

References 58 publications

The Counterion (SO42− and NO3−) Effect on Crystallographic, Quantum-Chemical, Protein-, and DNA-Binding Properties of Two Novel Copper(II)–Pyridoxal-Aminoguanidine Complexes

The Counterion (SO42− and NO3−) Effect on Crystallographic, Quantum-Chemical, Protein-, and DNA-Binding Properties of Two Novel Copper(II)–Pyridoxal-Aminoguanidine Complexes

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