Mesh : Humans Molecular Docking Simulation Coordination Complexes / pharmacology chemistry chemical synthesis Antineoplastic Agents / pharmacology chemistry chemical synthesis Urease / antagonists & inhibitors metabolism Thiophenes / chemistry pharmacology chemical synthesis Schiff Bases / chemistry pharmacology chemical synthesis Morpholines / chemistry pharmacology chemical synthesis Cell Line, Tumor Enzyme Inhibitors / pharmacology chemistry chemical synthesis Molecular Structure Leishmania / drug effects Structure-Activity Relationship Antiprotozoal Agents / pharmacology chemistry chemical synthesis Drug Screening Assays, Antitumor

来  源:   DOI:10.1039/d4dt00362d

Abstract:
A thiophene-derived Schiff base ligand (E)-2-morpholino-N-(thiophen-2-ylmethylene)ethanamine was used for the synthesis of M(II) complexes, [TEM(M)X2] (M = Co, Cu, Zn; X = Cl; M = Cd, X = Br). Structural characterization of the synthesized complexes revealed distorted tetrahedral geometry around the M(II) center. In vitro investigation of the synthesized ligand and its M(II) complexes showed considerable anti-urease and leishmanicidal potential. The synthesized complexes also exhibited a significant inhibitory effect on urease, with IC50 values in the range of 3.50-8.05 μM. In addition, the docking results were consistent with the experimental results. A preliminary study of human colorectal cancer (HCT), hepatic cancer (HepG2), and breast cancer (MCF-7) cell lines showed marked anticancer activities of these complexes.
摘要:
噻吩衍生的席夫碱配体(E)-2-吗啉代-N-(噻吩-2-基亚甲基)乙胺用于合成M(II)配合物,[TEM(M)X2](M=Co,Cu,Zn;X=Cl;M=Cd,X=Br)。合成复合物的结构表征揭示了M(II)中心周围扭曲的四面体几何形状。对合成的配体及其M(II)配合物的体外研究显示出相当大的抗脲酶和杀利什曼潜力。合成的复合物对脲酶也有明显的抑制作用,IC50值在3.50-8.05μM的范围内。此外,对接结果与实验结果一致。人类结直肠癌(HCT)的初步研究,肝癌(HepG2),和乳腺癌(MCF-7)细胞系显示出这些复合物的显着抗癌活性。
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