Synthesis, crystal structures, DFT studies, molecular docking and urease inhibition studies of three Ni(II) complexes with a sexidentate N₂O₄-donor bis-Schiff base ligand

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• 作者：Hu Wang ; Tianxiang Lan ; Xia Zhang ; Dongmei Zhang ; Caifeng Bi ; Yuhua Fan ; ^{fanyuhua301@163.com}
• 关键词：Ni(II) complexes ; X-ray structures ; DFT studies ; Urease inhibitors ; Molecular docking
• 刊名：Journal of Inorganic Biochemistry
• 出版年：2016
• 出版时间：December 2016
• 年：2016
• 卷：165
• 期：Complete
• 页码：18-24
• 全文大小：1625 K
• 卷排序：165

文摘

Three Ni(II) complexes with a sexidentate (N2O4) bis-Schiff base ligand were synthesized. The crystal structures of the Ni(II) complexes were determined. DFT studies of the Ni(II) complexes were described. Three Ni(II) complexes' urease inhibitory activities were described. Molecular docking analysis was investigated to determine the probable binding mode.