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首页> 外文期刊>The Journal of Antibiotics: An International Journal >Design and fabrication of novel thiourea coordination compounds as potent inhibitors of bacterial growth
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Design and fabrication of novel thiourea coordination compounds as potent inhibitors of bacterial growth

机译:新型硫脲配位化合物的设计与制作细菌生长的有效抑制剂

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A new thiourea ligand (HL), namely N-(4-chlorophenyl)morpholine-4-carbothioamide and its Co(III), Ni(II) and Ag(I) complexes (1a, 1b and 1c) were synthesized and investigated by Fourier-transform infrared,H- 1 NMR and UV-visible spectroscopies. The compounds HL and 1c were characterized by single-crystal X-ray crystallography revealing the triclinic space group P (1) over bar for both compounds. The inhibitory effect of HL ligand, 1a, 1b, and 1c complexes was investigated with in vitro tests on Gram-positive and Gram-negative bacteria. For the 1c complex, the results showed that the coordination of the HL to Ag(I) ion increased its antibacterial effect especially against E. coli. The assays also indicated that for the same bacteria strains, the new complexes showed higher activity than the ligand, with the relative activity 1c > 1b> 1a > HL. Moreover, all samples were more suitable antimicrobial agents against the Gram-negative than those of the Gram-positive bacteria. Eventually, the relationship between the structure and bactericidal activities of these specimens was examined by calculating frontier molecular orbital (HOMO and LUMO) energies using density functional theory method at the 6-31 G*/LANL2DZ level of theory.
机译:新的硫脲配体(H1),即N-(4-氯苯基)吗啉-4-碳磷酸及其CO(III),Ni(II)和Ag(I)配合物(1A,1B和1C),并通过傅里叶变换红外,H-1 NMR和UV可见光谱。通过单晶X射线结晶表征化合物H1和1C,将三星空间组P(1)覆盖两种化合物。 HL配体,1A,1B和1C复合物的抑制作用在革兰氏阳性和革兰氏阴性细菌上进行体外测试。对于1C复合物,结果表明,HL至Ag(I)离子的配位尤其是对大肠杆菌的抗菌作用。该测定还表明,对于相同的细菌菌株,新复合物显示出比配体更高的活性,相对活性1C> 1B> 1A> HL。此外,所有样品更合适的抗微生物剂与革兰氏阴性的抗微生物剂比革兰氏阳性细菌更合适。最终,通过在6-31g * / LANL2DZ理论水平下使用密度泛函理论方法计算前沿分子轨道(HOMO和LUMO)能量来检查这些样本的结构和杀菌活性之间的关系。

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