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Co(II) and Ni(II) Complexes of a Heterocyclic Ligand: Synthesis, Characterization, Docking and Biological Activity

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Abstract

Six different Co(II) and Ni(II) complexes of a heterocyclic tridentate 2-acetyl-5-methylfuranthiosemicarbazone (AMFT) schiff’s base ligand were reported. Metal complexes were synthesized via conventional condensation and refluxing technique and characterized by different analytical techniques i.e., elemental analysis, molar conductance, magnetic moments and spectral i.e., IR, UV–Vis, EPR techniques. AMFT coordinated with the metal ion through three different heteroatoms i.e., oxygen, nitrogen and sulphur. Octahedral geometry was suggested by the experimental studies and also supported by theoretical studies. Chemical hardness and global softness value suggested high chemical reactivity of Co(II) complex. The charge transfer in the complexes were studied by MEP analysis. Antibacterial and antifungal activities of all the complexes were evaluated. The complexes showed better inhibition action than the parent ligand. Molecular docking was also performed to check the inhibition at atomic level and the result validated the experimental result. Ni(II) complexes showed better inhibition in comparison with Co(II) complexes.

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Acknowledgements

IIT (Delhi), IIT (Jodhpur) and IIT (Mumbai), SAIF is acknowledged for providing IR and UV report, computational data and EPR data, respectively.

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Correspondence to Pallavi Jain or Namita Misra.

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The authors state that they have no known competing financial interests or personal ties that might have influenced the research presented in this study.

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Jain, P., Vishvakarma, V.K., Singh, P. et al. Co(II) and Ni(II) Complexes of a Heterocyclic Ligand: Synthesis, Characterization, Docking and Biological Activity. Iran J Sci Technol Trans Sci 46, 793–805 (2022). https://doi.org/10.1007/s40995-022-01312-7

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  • DOI: https://doi.org/10.1007/s40995-022-01312-7

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