化学
钒
脱质子化
吡啶
恩诺沙星
配体(生物化学)
分子
苯胺
密度泛函理论
金属
药物化学
无机化学
有机化学
计算化学
抗生素
受体
环丙沙星
离子
生物化学
作者
Wael A. Zordok,Sadeek A. Sadeek
标识
DOI:10.1016/j.molstruc.2016.05.011
摘要
Five metal complexes of antibacterial agent enrofloxacin with vanadium(V) in the presence of aniline, pyridine, orthotolidine and triethylamine as nitrogen donor molecules and dimethylformamide as oxygen donor molecule have been prepared and characterized with physicochemical and diverse spectroscopic techniques (IR, UV–Vis. and 1H NMR spectroscopes) as well as thermal analysis. The deprotonated enrofloxacin complexes of V(V) were isolated as solids with the general formulas; [VO(Enr)2DMF]Cl·5H2O, [VO(Enr)2An]Cl·2H2O, [VO(Enr)2o-Tol]Cl·H2O, [VO(Enr)2Py]Cl·4H2O and [VO(Enr)2Et3N]Cl·6H2O. The prepared complexes are formed with a metal to ligand ratios as 1:2:1 for all complexes. The lowest energy model structure of each complex has been proposed by using the density functional theory (DFT) at the B3LYP/CEP-31G level of theory. The energy barrier for the pyridine complex greater than others complexes while, Et3N complex has lower value. The ligand and their metal complexes were also evaluated for their antibacterial activity against three Gram (+ve) and three Gram (−ve) microorganisms.
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