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首页> 外文期刊>RSC Advances >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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Synthesis, spectral characterization, structural studies, molecular docking and antimicrobial evaluation of new dioxidouranium(VI) complexes incorporating tetradentate N2O2 Schiff base ligands

机译：新二氧化铈（VI）复合物的合成，光谱表征，结构研究，分子对接，分子对接和抗微生物评价掺入四环N2O2席夫碱配体

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摘要

Two new uranyl(VI) Schiff base complexes [UO2(L-1)(DMSO)] (1), where L-1 = N,N'-di(5-bromosalicylidene)-1,2-cyclohexyldiaminate ligand and [UO2(L-2)(MeOH)] (2), where L-2 = N, N'-di(5-bromosalicylidene)-o-phenylenediaminate ligand, were synthesized and characterized by elemental analysis, H-1 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 (L-1 for 1 and L-2 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.
机译：两种新的铀酰（VI）席夫碱基配合物[UO 2（L-1）（DMSO）]（1），其中L-1 = N，N'-DI（5-溴水合亚二胺）-1,2-环己烯二胺酸盐配体和[UO2 （L-2）（MeOH）]（2），其中L-2 = N，N'-DI（5-溴水杨基）-O-苯基二胺配体，通过元素分析，H-1 NMR，FTIR， UV-Vis，荧光光谱和摩尔电导率测量。 H2L1游离配体和复合物（1）和（2）的结构也通过单晶X射线衍射测定。根据所得的结果，标题复合物具有扭曲的五角形双脉络绿几何形状，其中U（VI）中心周围的位置由去质子化的二元席夫碱配体的ONNO供体占据（L-1，1和L-2（2 ）），两个氧化族基团和配位溶剂的氧气。配体和配合物的抗微生物活性也筛选克革兰氏阳性细菌金黄色葡萄球菌PTCC 1112，Micrococcus Luteus Ptcc 1110，芽孢杆菌PTCC 1015，肠球菌粪便; Gram阴性细菌假单胞菌铜绿假单胞菌PTCC 1214，大肠杆菌PTCC1330，假单胞菌SP。，Klebsiella Pneumoniae;和真菌菌株（念珠菌蛋白质）。还进行了GLCN-6-P合酶与合成化合物的分子对接。根据结果​​，复合物2显示出最小结合能量，可被认为是良好的抗微生物剂。

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