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<p>A bioactive copper(II) complex [Cu(L-H)<sub>2</sub>], was synthesized using a Schiff base ligand derived from sulfamethoxazole and 2-hydroxybenzaldehyde. The ligands coordinate to the Cu(II) center, resulting in a distorted octahedral geometry around the metal ion. The complex was characterized using FT-IR, UV–Vis, NMR, mass spectrometry, EPR, and thermal (TGA/DTA) analysis. EPR spectral parameters (g∥ &gt; g⊥ &gt; 2.0023) indicated an axially elongated octahedral environment and a covalent metal–ligand interaction. Single-crystal X-ray diffraction (SC-XRD) of the free Schiff base ligand confirmed a triclinic crystal system (P-1), stabilized by classical and non-classical hydrogen bonding interactions. DFT and MESP analyses revealed a HOMO–LUMO energy gap of 0.80&#xa0;eV and reactive electrostatic sites. Molecular docking studies against β-catenin (PDB: 1JPW) demonstrated strong binding affinity (–9.40&#xa0;kcal/mol), surpassing that of doxorubicin. The complex also exhibited enhanced fluorescence, significant antioxidant activity (IC<sub>50</sub> = 66.11&#xa0;µg/mL), and potent antimicrobial efficacy. These multifaceted findings emphasize the bioactive potential of the Cu(II) complex in medicinal and pharmaceutical research.</p> Graphical abstract <p></p>

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Synthesis and characterization of a sulpha drug-derived Cu(II) complex: crystal structure of the Schiff base and biological insights

  • 期刊论文

  • 发表日期：

    2026年4月15日

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  • Valarmathy Govindaraj,
  • Pradeepalakshmi Mathiazhagan,
  • Subramanian Ramasamy,
  • Elias Jesu Packiam,
  • Subbalakshmi Ramanathan,
  • Durga Dhanabal,
  • Keerthanadevi Chandrasekran

摘要

A bioactive copper(II) complex [Cu(L-H)2], was synthesized using a Schiff base ligand derived from sulfamethoxazole and 2-hydroxybenzaldehyde. The ligands coordinate to the Cu(II) center, resulting in a distorted octahedral geometry around the metal ion. The complex was characterized using FT-IR, UV–Vis, NMR, mass spectrometry, EPR, and thermal (TGA/DTA) analysis. EPR spectral parameters (g∥ > g⊥ > 2.0023) indicated an axially elongated octahedral environment and a covalent metal–ligand interaction. Single-crystal X-ray diffraction (SC-XRD) of the free Schiff base ligand confirmed a triclinic crystal system (P-1), stabilized by classical and non-classical hydrogen bonding interactions. DFT and MESP analyses revealed a HOMO–LUMO energy gap of 0.80 eV and reactive electrostatic sites. Molecular docking studies against β-catenin (PDB: 1JPW) demonstrated strong binding affinity (–9.40 kcal/mol), surpassing that of doxorubicin. The complex also exhibited enhanced fluorescence, significant antioxidant activity (IC50 = 66.11 µg/mL), and potent antimicrobial efficacy. These multifaceted findings emphasize the bioactive potential of the Cu(II) complex in medicinal and pharmaceutical research.

Graphical abstract