Eastern Liaoning University.
Acta Chim Slov. 2022 Sep 26;69(3):629-637. doi: 10.17344/acsi.2022.7513.
Three mononuclear copper(II) and nickel(II) complexes, [Cu(L1)(NCS)(CH3OH)] (1), [Cu(L2)(NCS)] (2) and [Ni(L2)(N3)] (3), where L1 and L2 are the monoanionic forms of the Schiff bases N'-(pyridin-2-ylmethylene)picolinohydrazide (HL1) and 4-methyl-2-(((pyridin-2-ylmethyl)imino)methyl)phenol (HL2), have been prepared and characterized by elemental analysis, IR and UV-Vis spectroscopy, as well as single crystal X-ray diffraction studies. The Cu atom in complex 1 is in a square pyramidal coordination, with the three N atoms of the ligand L and the N atom of the thiocyanate ligand in the basal plane, and with the methanol O atom at the apical position. The Cu and Ni atoms in complexes 2 and 3 are in square planar coordination, with the three donor atoms of the Schiff base ligands and the terminal N atoms of thiocyanate and azide ligands. Complexes 1 and 2 inhibit the Jack bean urease with IC50 value of 0.33±0.12 and 0.39±0.10 μmol L-1, respectively. Molecular docking study was performed to investigate the interaction between the complexes and the enzyme.
三种单核铜(II)和镍(II)配合物，[Cu(L1)(NCS)(CH3OH)] (1)，[Cu(L2)(NCS)] (2)和[Ni(L2)(N3)] (3)，其中 L1 和 L2 是希夫碱 N'-(吡啶-2-亚甲基)吡啶甲酰腙 (HL1)和 4-甲基-2-(((吡啶-2-基甲基)亚氨基)甲基)苯酚 (HL2)的单阴离子形式，通过元素分析、红外和紫外-可见光谱以及单晶 X 射线衍射研究进行了制备和表征。配合物 1 中的 Cu 原子处于四方锥配位，配体 L 的三个 N 原子和硫氰酸根配体的 N 原子处于基平面，甲醇 O 原子处于顶点位置。配合物 2 和 3 中的 Cu 和 Ni 原子处于平面正方形配位，Schiff 碱配体的三个供体原子和硫氰酸根和叠氮化物配体的末端 N 原子。配合物 1 和 2 对杰克豆脲酶的抑制作用的 IC50 值分别为 0.33±0.12 和 0.39±0.10 μmol L-1。进行了分子对接研究，以研究配合物与酶之间的相互作用。
