席夫碱双氧钒(Ⅴ)配合物的合成、结构及其抑制幽门螺旋杆菌脲酶研究

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。

Synthesis and Structures of Dioxovanadium(V) Complexes with Schiff Bases and Their Inhibition Studies on Helicobacter Pylori Urease

Two dioxovanadium(Ⅴ) complexes,(1) and 2(2)(L1=4-chloro-2-(2-phenylaminoethylimino)methyl]phenolate;L2=4-2-(2-{1-(5-chloro-2-hydroxyphenyl)methylidene]amino}ethylamino)ethylimino] pentan-3-en-2-one),have been synthesized and characterized by physico-chemical methods and single-crystal X-ray diffraction.The V atom in the mononuclear complex 1 is in distorted square pyramidal coordination,and those in the dinuclear complex 2 are in octahedral coordination.The complexes were tested for their Helicobacter pylori urease inhibitory activity.The inhibition rate of the complexes 1 and 2 at the concentration of 100 μmol·L-1 against urease are(52.1±1.8)%,and(34.2±3.3)%.The molecular docking study of the complexes with the Helicobacter pylori urease was performed.The relationship between the structures of the complexes and the urease inhibitory activities indicates that the size and shape of the complex molecules play an important role for the inhibition.CCDC: 832899,1;832900,2.