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Synthesis, cytotoxicity, and antioxidant activity by in vitro and molecular docking studies of an asymmetrical diamine containing piperazine moiety and related Zn(II), Cd(II) and Mn(II) macrocyclic schif base complexes
Inorganic Chemistry Communications ( IF 4.4 ) Pub Date : 2021-01-06 , DOI: 10.1016/j.inoche.2021.108443
Hassan Keypour , Mohammad Taher Rezaei , Mahdi Jamshidi , Seyed Hamed Moazzami Farida , Roya Karamian

Three new Zn(II), Cd(II) and Mn(II) macrocyclic Schiff base complexes have been prepared via the Mn(II), Cd(II), and Zn(II) templated [1 + 1] cyclo condensation of phtalaldehyde with an asymmetrical diamine, 2-((4-(2-((2-amino benzyl)amino)ethyl)piperazine-1-yl)methyl)aniline. The complexes have been characterized by elemental analysis, IR, ESI-MS, and NMR spectroscopy. The cytotoxicity of the compounds was evaluated against three different cancer cell lines, including MCF-7 (breast), A549 (lung), and AGS (gastric) adenocarcinoma cells. In general, Cd-complex possesses a higher cytotoxic effect against the tested cells than the Zn, and Mn-complexes. Besides, antioxidant activity assays displayed that Cd, and Zn complexes had significant antioxidant potencies compared to ascorbic acid and quercetin, due to the standards. In addition, the biological assessment of synthesized complexes was examined via molecular docking. Findings showed that the Cd-complexes have the highest inhibition effect against cytotoxic and antioxidant receptors.



中文翻译:

合成,细胞毒性和抗氧化活性通过体外和分子对接研究包含哌嗪部分和相关的Zn(II),Cd(II)和Mn(II)大环席夫碱配合物的不对称二胺

三种新的Zn(II),Cd(II)和Mn(II)大环席夫碱配合物是通过邻苯二甲醛的Mn(II),Cd(II)和Zn(II)模板化[1 +1]环缩合制备的用不对称二胺2-((4-(2-(((2-氨基苄基)氨基)乙基)哌嗪-1-基)甲基)苯胺。通过元素分析,IR,ESI-MS和NMR光谱对复合物进行了表征。评估了化合物对三种不同癌细胞系的细胞毒性,其中包括MCF-7(乳腺癌),A549(肺)和AGS(胃)腺癌细胞。通常,Cd复合物对受试细胞的细胞毒作用要比Zn和Mn-高复合体。此外,抗氧化剂活性测定表明,由于标准的存在,与抗坏血酸和槲皮素相比,镉和锌配合物具有显着的抗氧化能力。另外,通过分子对接检查了合成复合物的生物学评估。研究结果表明,镉复合物对细胞毒性和抗氧化剂受体具有最高的抑制作用。

更新日期:2021-01-16
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