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<p>One pot reaction mixture of Salicylaldehyde, furfural amine, and further addition of <i>cis</i>-[MoO<sub>2</sub>(acac)<sub>2</sub>] in ethanol yielded <i>cis</i>-[MoO<sub>2</sub>L<sub>2</sub>] type complex, <i>cis</i>-[MoO<sub>2</sub>(Sal-Fa)<sub>2</sub>], where Sal-Fa stands for the deprotonated condensate of salicylaldehyde and furfural amine, (2-[(E)-{[(oxolan-2-yl)methyl]imino}methyl]phenolate). The yellow-colored crystals obtained by slow evaporation of the reaction mixture were used to collect single-crystal X-ray diffraction data, and the structure of the complex was elucidated. Further, the complex, <i>cis</i>-[MoO<sub>2</sub>(Sal-Fa)<sub>2</sub>], was characterized by various spectroscopic techniques such as FTIR, UV-visible, <sup>1</sup>H-NMR, and <sup>13</sup>C-NMR. The results were consistent with the molecular structure determined by single-crystal X-ray diffraction data. The cyclic voltammogram of the complex shows an irreversible one-electron reduction response at − 1025 mV for the Mo(VI) to Mo(V) reduction. <i>cis</i>-[MoO<sub>2</sub>(Sal-Fa)<sub>2</sub>] shows antibacterial activity against <i>Staphylococcus sp</i> (Gram-positive bacteria) and <i>Klebsiella</i> (Gram-negative bacteria). The minimum inhibitory concentrations were 5&#xa0;mg/mL and 7.5&#xa0;mg/mL, respectively. Furthermore, molecular docking studies against Glucosamine-6-phosphate synthase (GlcN-6-P), a crucial bacterial and fungal enzyme target, showed an excellent binding free energy of -9.02&#xa0;kcal/mol, where the standard antibiotic streptomycin binding free energy is -5.72&#xa0;kcal/mol. These findings highlight the potential of furan-based Schiff-base molybdenum complexes as scaffolds for developing new therapeutic agents with enhanced biological activity.</p>

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Synthesis, Characterization, Antibacterial Activity, and Molecular Docking of a Furan-Based Schiff Base Molybdenum(VI) Dioxo Complex

  • 期刊论文

  • 发表日期：

    2025年11月10日

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  • Sathish Kumar Kurapati,
  • Saladi Nirupama,
  • Yadaiah Salwadi,
  • Kesavarao Sykam

摘要

One pot reaction mixture of Salicylaldehyde, furfural amine, and further addition of cis-[MoO2(acac)2] in ethanol yielded cis-[MoO2L2] type complex, cis-[MoO2(Sal-Fa)2], where Sal-Fa stands for the deprotonated condensate of salicylaldehyde and furfural amine, (2-[(E)-{[(oxolan-2-yl)methyl]imino}methyl]phenolate). The yellow-colored crystals obtained by slow evaporation of the reaction mixture were used to collect single-crystal X-ray diffraction data, and the structure of the complex was elucidated. Further, the complex, cis-[MoO2(Sal-Fa)2], was characterized by various spectroscopic techniques such as FTIR, UV-visible, 1H-NMR, and 13C-NMR. The results were consistent with the molecular structure determined by single-crystal X-ray diffraction data. The cyclic voltammogram of the complex shows an irreversible one-electron reduction response at − 1025 mV for the Mo(VI) to Mo(V) reduction. cis-[MoO2(Sal-Fa)2] shows antibacterial activity against Staphylococcus sp (Gram-positive bacteria) and Klebsiella (Gram-negative bacteria). The minimum inhibitory concentrations were 5 mg/mL and 7.5 mg/mL, respectively. Furthermore, molecular docking studies against Glucosamine-6-phosphate synthase (GlcN-6-P), a crucial bacterial and fungal enzyme target, showed an excellent binding free energy of -9.02 kcal/mol, where the standard antibiotic streptomycin binding free energy is -5.72 kcal/mol. These findings highlight the potential of furan-based Schiff-base molybdenum complexes as scaffolds for developing new therapeutic agents with enhanced biological activity.