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Synthesis, spectral characterization, structural studies, molecular docking and antimicrobial evaluation of new dioxidouranium(vi) complexes incorporating tetradentate N2O2 Schiff base ligands†
S. Yousef Ebrahimipour,Iran Sheikhshoaie,Jesús Castro,Michal Dušek,Václav Eigner,Moj Khaleghi
RSC Advances Pub Date : 10/29/2015 00:00:00 , DOI:10.1039/C5RA17524K
Abstract

Two new uranyl(VI) Schiff base complexes [UO2(L1)(DMSO)] (1), where L1 = N,N′-di(5-bromosalicylidene)-1,2-cyclohexyldiaminate ligand and [UO2(L2)(MeOH)] (2), where L2 = N,N′-di(5-bromosalicylidene)-o-phenylenediaminate ligand, were synthesized and characterized by elemental analysis, 1H NMR, FTIR, UV-vis, fluorescence spectroscopy and molar conductivity measurements. The structure of the H2L1 free ligand and both complexes (1) and (2) were also determined by single crystal X-ray diffraction. According to the results obtained, the title complexes have a distorted pentagonal bipyramidal geometry where positions around the U(VI) centre are occupied by the ONNO donors of the deprotonated dibasic Schiff base ligands (L1 for 1 and L2 for (2)), two oxido groups and the oxygen of coordinated solvent. The antimicrobial activity of ligands and complexes was also screened against Gram positive bacteria Staphylococcus aureus PTCC 1112, Micrococcus luteus PTCC 1110, Bacillus cereus PTCC 1015, Enterococcus faecalis; Gram negative bacteria Pseudomonas aeruginosa PTCC 1214, Escherichia coli PTCC1330, Pseudomonas sp., Klebsiella pneumoniae; and fungus strain (Candida albicans). The molecular docking of GlcN-6-P synthase with the synthesized compounds was also performed. According to the results, complex 2 displayed minimum binding energy and can be considered as a good antimicrobial agent.

Graphical abstract: Synthesis, spectral characterization, structural studies, molecular docking and antimicrobial evaluation of new dioxidouranium(vi) complexes incorporating tetradentate N2O2 Schiff base ligands
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