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February 2, 2026Scientific ReportsOpen Access

Structural elucidation, biological significance and computational approach of Copper(ii), Nickel(ii) and Cobalt(ii) with bidentate schiff base of N-(Napthalene-1-ylmethylene)isonicotinohydrazide

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Authors

AIAshraful IslamUniversity of RajshahiFTFaria TasnimUniversity of RajshahiMBMd. Toukir BiswasUniversity of Rajshahi

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Implication

Research reveals effective antibacterial and antioxidant complexes in a novel schiff base ligand, suggesting therapeutic potential.

Key Points

  • To explore the structural properties and biological significance of metal complexes formed with a schiff base ligand.
  • Synthesis of a schiff base ligand and complexation with Copper(II), Nickel(II), and Cobalt(II) ions.
  • Characterization using spectroscopic and analytical techniques.
  • Antibacterial testing via disc diffusion method.
  • Antioxidant activity measured with DPPH radical scavenging assay.
  • Molecular docking studies against DNA gyrase to assess binding affinity.
  • Ni(II) complex shows the highest antibacterial activity against multiple bacterial strains.
  • Cu(II) complex exhibits significant antioxidant activity with an IC50 value of 187.81 µg/mL.
  • Molecular docking predicts Ni(II) complex as the best binder to DNA gyrase.
  • Dynamic simulations reveal Cu(II) and Co(II) complexes maintain stable interactions.
  • DFT calculations show a significant reduction in HOMO-LUMO energy gap, indicating enhanced reactivity.

Cite This Study

Islam et al. (2026) studied this question.

synapsesocial.com/papers/6980fd9dc1c9540dea80f682https://doi.org/10.1038/s41598-025-23208-3
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