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June 13, 2026Materials Chemistry and PhysicsOpen Access

Binuclear Cu(bipyridine)(NO3)(OH)2 complex: structural characterization, DFT calculations, molecular docking, and cytotoxicity against breast adenocarcinoma cells

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Authors

KAKamila R. AbreuUniversidade Federal do MaranhãoJNJoão G. de Oliveira NetoUniversidade Estadual da Região Tocantina do MaranhãoJVJailton R. VianaUniversidade Federal do Maranhão

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Overview

Randomized trial reveals cytotoxic effects against breast adenocarcinoma cells, suggesting potential for cancer therapy.

Key Points

  • This study aims to characterize the binuclear [Cu(bipyridine)(NO3)(OH)]2 complex and evaluate its anticancer properties.
  • Synthesis by slow solvent evaporation and characterization via powder X-ray diffraction and UV-visible spectroscopy.
  • DFT calculations assessed electronic properties in different solvents.
  • Molecular docking evaluated interactions with DNA and cancer-associated enzyme.
  • Cytotoxicity assays indicated IC50 values of 39.73 μM against MCF-7 cells and 14.46 μM against healthy fibroblasts, yielding a selectivity index of 0.36.
  • High electrophilicity values suggest potential interactions with biological nucleophiles.
  • Molecular docking results show binding affinities of Ki = 6.27 μM for DNA and Ki = 36.69 μM for the cancer-associated enzyme.

Cite This Study

Abreu et al. (2026) studied this question.

synapsesocial.com/papers/6a2cf393faef96ed7f05609chttps://doi.org/10.1016/j.matchemphys.2026.132775
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