•  
  •  
 

Abstract

A novel series of trinuclear coordination complexes of Co(II), Ni(II), Cu(II), Zn(II), and Cd(II) was synthesized using a triazole-based ligand, namely 4-amino-5-((bis((4-amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)amino)methyl)-2H-1,2,4-triazole-3(4H)-thione, (TAT3) in an alcoholic medium. The obtained complexes were investigated using a comprehensive set of physicochemical and spectroscopic techniques, including CHNS elemental analysis, Fourier-transform infrared (FT-IR) spectroscopy, UV–visible spectroscopy, proton and carbon-13 nuclear magnetic resonance (1H and 13C-NMR), mass spectrometry, magnetic susceptibility measurements, and molar conductivity. Structural and surface morphology assessments were further carried out using X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM). The spectroscopic and analytical data confirmed that the TAT3 ligand coordinates to the metal centers via three sulfur atoms of the thione groups and three nitrogen atoms of the amino functionalities, thereby as acting as a hexadentate ligand bridging and enabling to formation of trinuclear complexes. The proposed geometry for the Co(II) complex is octahedral, while the Zn(II), Cd(II), and Ni(II) complexes exhibit tetrahedral geometries. The Cu(II) complex adopts a square planar configuration. Molecular docking studies were conducted against three cancer-related targets associated with lung, bladder, and breast cancers. The results revealed favorable binding affinities, suggesting that TAT3 ligand may possess promising anticancer potential. Additionally, the cytotoxicity data indicate that the structural features of TAT3 confer a preferential effect toward bladder carcinoma cells, highlighting a degree of selectivity that could be valuable for further anticancer optimization.

Keywords

Anticancer activity, Molecular docking, Transition metal complexes, Triazole complexes, Triazole derivatives

Subject Area

Chemistry

Article Type

Article

First Page

2551

Last Page

2565

Creative Commons License

Creative Commons Attribution 4.0 International License
This work is licensed under a Creative Commons Attribution 4.0 International License.

Download

Share

 
COinS