CAJ | 학술논문

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100 μmol·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.
본문합성료2개쌍양범(V)배합물,[VO2L1](1)화[VO2L2]2(2)(L1=4-록-2-[(2-분알기을아알기)갑기]분분염；L2=4-[2-(2-{[1-(5-록-2-간기분기)갑아알기]알기}을알기)을아알기]-2-무동),병통과물이화학방법화단정X-사선연사표정료타문적결구.재단핵배합물1중,V원자채취기변적사방추배위구형,재쌍핵배합물2중,V원자채취팔면체배위구형.연구료저2개배합물대유문라선간균뇨매적억제활성.재농도위100 μmol·L-1시,배합물1화2대뇨매적억제솔분별위(52.1±1.8)％화(34.2±3.3)％.환주료배합물화유문라선간균뇨매적분자대접연구.배합물적결구화기억제뇨매활성적관계표명,배합물분자적척촌화형상대뇨매적억제작용구유중요영향.
Two dioxovanadium(V) complexes,[VO2L1](1) and [VO2L2]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-1against 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.