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本文合成了2个新的结构类似的酰腙氧钒(Ⅴ)配合物,[VOL(OCH3)(CH3OH)](L=L1=2-氯-N′-(5-氯-2-羟基苯亚甲基)苯甲酰肼(1);L=L2=2-氯-N′-(2-羟基-3-甲氧基苯亚甲基)苯甲酰肼(2)),并通过物理化学方法和单晶X-射线衍射表征了它们的结构。在每个配合物中,V原子都采取八面体配位构型,利用配体L中的3个给体原子和1个甲氧配体的氧原子定义其赤道面,利用1个酮氧原子和1个甲醇氧原子占据其2个轴向位置。本文还研究了这2个配合物对幽门螺旋杆菌脲酶的抑制活性。在浓度为100μmol.L-1时,配合物1和2对脲酶的抑制率分别为(82.0%±2.8%)和(28.2%±1.7%)。此外,还做了配合物和幽门螺旋杆菌脲酶的分子对接研究。
In this paper, two novel structures of the acylhydrazone vanadyl (V) complex [VOL (OCH3) (CH3OH)] have been synthesized. (L = L1 = 2-chloro-N’- (1); L = L2 = 2-chloro-N’- (2-hydroxy-3- methoxybenzylidene) benzoic acid hydrazide (2) Their chemical structure and single crystal X-ray diffraction characterize their structure. In each complex, V atoms take the octahedral coordination configuration, the equatorial plane is defined by the oxygen atoms of three donor atoms and one methoxy ligand in ligand L, and one ketone oxygen atom And one methanol oxygen occupy two axial positions. The inhibitory activities of these two complexes against H. pylori urease were also studied. The inhibitory rates of complex 1 and 2 on urease were (82.0% ± 2.8%) and (28.2% ± 1.7%) respectively at the concentration of 100 μmol·L-1. In addition, a molecular docking study of the complex and H. pylori urease was also done.