Chemical, spectroscopic characterization, DFT studies and antibacterial activities in vitro of a new gold(I) complex with rimantadine

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• 作者：Suelen F. Sucena^a ; Raphael E.F. Paiva^a ; Camilla Abbehausen^a ; Ives B. Mattos^b ; Marcelo Lancellotti^b ; André ; L.B. Formiga^c ; Pedro P. Corbi^a ; ^{pedrocorbi@yahoo.com} ; ^{ppcorbi@iqm.unicamp.br}
• 关键词：RTD ; rimantadine ; Au&ndash ; RTD ; gold(I) complex with rimantadine ; NMR ; nuclear magnetic resonance ; HMBC ; heteronuclear multiple bond coherence ; IR ; infrared ; UV&ndash ; vis ; ultraviolet&ndash ; visible ; TMS ; tetramethylsilane ; DMSO ; dimethylsulfoxide ; CD3OD
• 刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
• 出版年：2012
• 出版时间：April, 2012
• 年：2012
• 卷：89
• 期：Complete
• 页码：114-118
• 全文大小：453 K

文摘

A novel gold(I) complex with rimantadine (RTD) was obtained and structurally characterized by a set of chemical and spectroscopic analysis. ¹H, ¹³C and ¹⁵N nuclear magnetic resonance (NMR) and infrared (IR) spectroscopic measurements suggest coordination of the ligand to Au(I) through the N atom of the ethanamine group. Theoretical (DFT) calculations confirmed the IR assignments and permit proposing an optimized geometry for the complex. The gold(I)-rimantadine complex (Au-RTD) is soluble in methanol, ethanol, dimethylsulfoxide, acetone and acetonitrile. The preliminary kinetic studies based on UV-vis spectroscopic measurements indicate the stability of the compound in solution. Antibacterial activities of the complex were evaluated by an antibiogram assay. The Au-RTD complex showed an effective in vitro antibacterial activity against the Pseudomonas aeruginosa, Escherichia coli (Gram-negative), and Staphylococcus aureus (Gram-positive) bacterial strains.