A new series of bioactive Mo(V)2O2S2-based thiosemicarbazone complexes: Solution and DFT studies, and antifungal and antioxidant activities - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Inorganic Biochemistry Année : 2023

A new series of bioactive Mo(V)2O2S2-based thiosemicarbazone complexes: Solution and DFT studies, and antifungal and antioxidant activities

Jordi Buils
  • Fonction : Auteur
Olga S. Garbuz
Greta G. Balan
  • Fonction : Auteur
Vincent Guérineau
David Touboul
Mohamed Haouas
Mireia Segado-Centelles
  • Fonction : Auteur
Carles Bo
Aurélian P. Gulea
  • Fonction : Auteur
Sébastien Floquet

Résumé

This paper deals with the synthesis, characterization, and studies of biological properties of a series of 5 coordination compounds based on binuclear core [Mo(V)2O2S2]2+ with thiosemicarbazones ligands bearing different substituents on the R1 position of the ligand. The complexes are first studied using MALDI-TOF mass spectrometry and NMR spectroscopy to determine their structures in solution in relation to single-crystal X-Ray diffraction data. In a second part, the antifungal and antioxidative activities are explored and the high potential of these coordination compounds compared to the uncoordinated ligands is demonstrated for these properties. Finally, DFT calculation provides important support to the solution studies by identifying the most stable isomers in each [Mo2O2S2]2+/Ligand system, while the determination of HUMO and LUMO levels is performed to explain the antioxidative properties of these systems.
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Dates et versions

hal-04190832 , version 1 (19-10-2023)

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Diana Cebotari, Jordi Buils, Olga S. Garbuz, Greta G. Balan, Jérôme C. Marrot, et al.. A new series of bioactive Mo(V)2O2S2-based thiosemicarbazone complexes: Solution and DFT studies, and antifungal and antioxidant activities. Journal of Inorganic Biochemistry, 2023, 245, ⟨10.1016/j.jinorgbio.2023.112258⟩. ⟨hal-04190832⟩
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