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本文合成了2个双氧钒(Ⅴ)配合物,[VO2L1](1)和[VO2L2]2(2)(L1=4-氯-2-[(2-苯胺基乙亚胺基)甲基]苯酚盐;L2=4-[2-(2-{[1-(5-氯-2-羟基苯基)甲亚胺基]胺基}乙胺基)乙亚胺基]-2-戊酮),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。在单核配合物1中,V原子采取畸变的四方锥配位构型,在双核配合物2中,V原子采取八面体配位构型。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(52.1±1.8)%和(34.2±3.3)%。还做了配合物和幽门螺旋杆菌脲酶的分子对接研究。配合物的结构和其抑制脲酶活性的关系表明,配合物分子的尺寸和形状对脲酶的抑制作用具有重要影响。
In this paper, two complexes of vanadyl (V), [VO2L1] (1) and [VO2L2] 2 (2) ] Phenoxide; L2 = 4- [2- (2- {[1- (5-chloro-2- hydroxyphenyl) methylimino] amino} ethylamino) Ketone), and their structures were characterized by physico-chemical methods and single crystal X-ray diffraction. In the mononuclear complex 1, the V atom adopts a distorted tetragonal pyramid coordination structure, and in the dinuclear complex 2, the V atom adopts the octahedral coordination structure. The inhibitory activities of these two complexes against H. pylori urease were studied. The inhibitory rates of complexes 1 and 2 to urease were (52.1 ± 1.8)% and (34.2 ± 3.3)%, respectively, at a concentration of 100 μmol·L-1. Molecular docking studies were also done with the complex and H. pylori urease. The relationship between the structure of the complex and the activity of inhibiting urease shows that the size and shape of the complex have an important influence on the inhibition of urease.