Instituto de Química, Universidade Estadual de Campinas-UNICAMP, Cidade Universitária Zeferino Vaz, s/n, CP 6154, CEP 13083-970, Campinas, SP, Brazil.
Spectrochim Acta A Mol Biomol Spectrosc. 2011 Jan;78(1):313-8. doi: 10.1016/j.saa.2010.10.012. Epub 2010 Nov 2.
Nuclear magnetic resonance studies, molecular modeling and antibacterial assays of the palladium(II) complex with S-allyl-L-cysteine (deoxyalliin) are presented. Studies based on solid and solution 13C and 15N nuclear magnetic resonance (NMR) spectroscopy confirmed that the palladium(II) complex preserved the same structural arrangement in both states, with no modifications on coordination sphere when dissolved in water. Density functional theory (DFT) studies stated that the trans isomer is the most stable one. Antibacterial activities of S-allyl-L-cysteine and its palladium(II) complex were evaluated by antibiogram assays using the disc diffusion method. The palladium(II) complex showed an effective antibacterial activity against Staphylococcus aureus (Gram-positive), Escherichia coli and Pseudomonas aeruginosa (Gram-negative) bacterial cells.
本文报道了 S-烯丙基-L-半胱氨酸（脱氧蒜素）与钯（II）配合物的核磁共振研究、分子模拟和抗菌活性。基于固体和溶液 13C 和 15N 核磁共振（NMR）光谱的研究证实，钯（II）配合物在两种状态下保持相同的结构排列，当溶解在水中时，配位球没有任何修饰。密度泛函理论（DFT）研究表明，反式异构体是最稳定的异构体。采用纸片扩散法药敏试验评价了 S-烯丙基-L-半胱氨酸及其钯（II）配合物的抗菌活性。钯（II）配合物对金黄色葡萄球菌（革兰氏阳性）、大肠杆菌和铜绿假单胞菌（革兰氏阴性）细菌细胞表现出有效的抗菌活性。
