在这里,我们报告了八种新的单核和双核Co2+的合成,Ni2+,Cu2+,和Zn2甲氧基氨基硫脲(MTSC)配合物,旨在获得具有有效生物活性的氨基硫脲配合物。通过元素分析充分表征了MTSC配体及其金属配合物的结构,光谱技术(NMR,FTIR,UV-Vis),摩尔电导率,热重分析(TG),和热差分析(DrTGA)。光谱和分析数据表明,获得的硫代氨基脲-金属络合物在金属中心周围具有八面体几何形状,除了Zn2+-氨基硫脲配合物,显示出四面体的几何形状。MTSC配体及其(Co2+,Ni2+,Cu2+,和Zn2+)金属配合物也进行了研究。有趣的是,MTSC-金属络合物对被检细菌的抗菌活性高于单独的MTSC,这表明金属络合提高了母体配体的抗菌活性。在不同的金属络合物中,MTSC-单核和双核Cu2+配合物对枯草芽孢杆菌和普通变形杆菌具有显著的抗菌活性,优于标准的庆大霉素药物。计算机分子对接研究表明,MTSC配体可能是氧化还原酶蛋白的潜在抑制剂。
Herein, we report the synthesis of eight new mononuclear and binuclear Co2+, Ni2+, Cu2+, and Zn2+ methoxy thiosemicarbazone (MTSC) complexes aiming at obtaining thiosemicarbazone complex with potent biological activity. The structure of the MTSC ligand and its metal complexes was fully characterized by elemental analysis, spectroscopic techniques (NMR, FTIR, UV-Vis), molar conductivity, thermogravimetric analysis (TG), and thermal differential analysis (DrTGA). The spectral and analytical data revealed that the obtained thiosemicarbazone-metal complexes have octahedral geometry around the metal center, except for the Zn2+-thiosemicarbazone complexes, which showed a tetrahedral geometry. The antibacterial and antifungal activities of the MTSC ligand and its (Co2+, Ni2+, Cu2+, and Zn2+) metal complexes were also investigated. Interestingly, the antibacterial activity of MTSC- metal complexes against examined bacteria was higher than that of the MTSC alone, which indicates that metal complexation improved the antibacterial activity of the parent ligand. Among different metal complexes, the MTSC- mono- and binuclear Cu2+ complexes showed significant antibacterial activity against Bacillus subtilis and Proteus vulgaris, better than that of the standard gentamycin drug. The in silico molecular docking
study has revealed that the MTSC ligand could be a potential inhibitor for the oxidoreductase protein.