Novel Copper (II) Complex Derived from Sulfadiazine Azo Resorcinol Ligand: Characterization, Antibacterial Evaluation, and Molecular Docking Study.
- 1Department of Medical Laboratory Techniques, College of Health and Medical Techniques / Kufa, University of Al-Furat Al-Awsat Techniques, Najaf 31003, Iraq
- 2Department of Pharmaceutical Chemistry, College of Pharmacy/ Kufa University, Najaf, Iraq
- 3Department of Dental Technology, College of Health and Medical Techniques / Kufa, University of Al-Furat Al-Awsat Techniques, Najaf 31003, Iraq
Abstract
A novel copper complex was synthesized from a heterocyclic azo ligand, namely Sulfadiazine Azo Resorcinol (SAR). The first step involved preparing the azo ligand using a classical diazotization-coupling method. The copper complex was subsequently prepared with a 1:2 metal-to-ligand molar ratio. Following purification, the prepared ligand and its Cu(II) complex were characterized using FT-IR spectroscopy, UV-Vis spectroscopy, 1H-NMR spectroscopy, CHN elemental analysis, molar conductivity, and magnetic susceptibility. The analytical results indicated that the ligand coordinated as a bidentate (N, O) donor, binding with two ligand molecules and two coordinated water molecules to the copper center, resulting in a neutral octahedral geometry. The antimicrobial activity of both the free ligand and its complex was evaluated against five pathogenic bacterial strains (E. coli, P. aeruginosa, S. aureus, E. faecalis, and P. agglomerans) using the agar well diffusion method. Biological activity evaluations demonstrated that both compounds exhibited moderate to high antimicrobial activity, with the copper (II) complex displaying significantly enhanced activity compared to the free ligand. Furthermore, a molecular docking simulation was conducted to evaluate the binding modes, affinities, and specific intermolecular interactions of the synthesized compounds within the active binding pockets of key bacterial target proteins. Two target proteins were selected for the docking study: dihydropteroate synthetase (PDB ID: 1AD4) and Dihydropteroate synthetase from E. coli (PDB ID: 3TYU). The molecular docking results were consistent with the in vitro antibacterial findings; the Cu(II) complex exhibited higher binding affinity toward both target proteins than the free ligand.
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BibTeX
@article{ibrahim2026novel,
title = {{Novel Copper (II) Complex Derived from Sulfadiazine Azo Resorcinol Ligand: Characterization, Antibacterial Evaluation, and Molecular Docking Study.}},
author = {Hawraa Ibrahim and Abeer Tuaimah and Zahraa Salman},
journal = {Biobacta Journal of Biochemistry and Molecular Biology},
year = {2026},
month = nov,
doi = {10.71428/bjbmb.2026.0212},
url = {https://doi.org/10.71428/bjbmb.2026.0212},
note = {CC BY-SA},
}
RIS
TY - JOUR
TI - Novel Copper (II) Complex Derived from Sulfadiazine Azo Resorcinol Ligand: Characterization, Antibacterial Evaluation, and Molecular Docking Study.
AU - Hawraa Ibrahim
AU - Abeer Tuaimah
AU - Zahraa Salman
PY - 2026
DA - 2026/11/06
JO - Biobacta Journal of Biochemistry and Molecular Biology
DO - 10.71428/bjbmb.2026.0212
UR - https://doi.org/10.71428/bjbmb.2026.0212
AB - A novel copper complex was synthesized from a heterocyclic azo ligand, namely Sulfadiazine Azo Resorcinol (SAR). The first step involved preparing the azo ligand using a classical diazotization-coupling method. The copper complex was subsequently prepared with a 1:2 metal-to-ligand molar ratio. Following purification, the prepared ligand and its Cu(II) complex were characterized using FT-IR spectroscopy, UV-Vis spectroscopy, 1H-NMR spectroscopy, CHN elemental analysis, molar conductivity, and magnetic susceptibility. The analytical results indicated that the ligand coordinated as a bidentate (N, O) donor, binding with two ligand molecules and two coordinated water molecules to the copper center, resulting in a neutral octahedral geometry. The antimicrobial activity of both the free ligand and its complex was evaluated against five pathogenic bacterial strains (E. coli, P. aeruginosa, S. aureus, E. faecalis, and P. agglomerans) using the agar well diffusion method. Biological activity evaluations demonstrated that both compounds exhibited moderate to high antimicrobial activity, with the copper (II) complex displaying significantly enhanced activity compared to the free ligand. Furthermore, a molecular docking simulation was conducted to evaluate the binding modes, affinities, and specific intermolecular interactions of the synthesized compounds within the active binding pockets of key bacterial target proteins. Two target proteins were selected for the docking study: dihydropteroate synthetase (PDB ID: 1AD4) and Dihydropteroate synthetase from E. coli (PDB ID: 3TYU). The molecular docking results were consistent with the in vitro antibacterial findings; the Cu(II) complex exhibited higher binding affinity toward both target proteins than the free ligand.
SN - 3009-741X
ER -