Synthesis, spectroscopic characterization, DFT studies, and antibacterial and antitumor activities of a novel water soluble Pd(II) complex with L-alliin

dc.creatorAbbehausen, C
dc.creatorSucena, SF
dc.creatorLancellotti, M
dc.creatorHeinrich, TA
dc.creatorAbrao, EP
dc.creatorCosta-Neto, CM
dc.creatorFormiga, ALB
dc.creatorCorbi, PP
dc.date2013
dc.date41334
dc.date2014-08-01T18:26:29Z
dc.date2015-11-26T17:05:30Z
dc.date2014-08-01T18:26:29Z
dc.date2015-11-26T17:05:30Z
dc.date.accessioned2018-03-28T23:53:52Z
dc.date.available2018-03-28T23:53:52Z
dc.identifierJournal Of Molecular Structure. Elsevier Science Bv, v. 1035, n. 421, n. 426, 2013.
dc.identifier0022-2860
dc.identifierWOS:000315315500056
dc.identifier10.1016/j.molstruc.2012.11.065
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/78906
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/78906
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1279602
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionA new water soluble Pd(II) complex with L-alliin (S-allyl-L-cysteine sulfoxide) was obtained and characterized by a set of chemical and spectroscopic measurements. Elemental and mass spectrometric data are consistent with the formula [Pd(C6H10NO3S)(2)]. The H-1 and C-13 nuclear magnetic resonance (NMR) data, [H-1-N-15] two dimensional (2D) NMR and infrared spectroscopic measurements indicate coordination of the ligand to Pd(II) through N and O atoms. DFT studies showed that the trans isomer is the most stable and preferred geometry for the complex. The complex is soluble in water and dimethylsulfoxide. An anti-biogram assay revealed that the complex possess antibacterial activity against Escherichia coli, Pseudomonas aeruginosa and Staphylococcus aureus bacterial strains in the range 125-500 mu g mL(-1). Antitumor assays revealed that the complex presents cytotoxic activity over HeLa cells with an estimated IC50 of 20 mu mol L-1. (c) 2012 Elsevier B.V. All rights reserved.
dc.description1035
dc.description421
dc.description426
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionFAPESP [Proc. 2012/08230-2]
dc.languageen
dc.publisherElsevier Science Bv
dc.publisherAmsterdam
dc.publisherHolanda
dc.relationJournal Of Molecular Structure
dc.relationJ. Mol. Struct.
dc.rightsfechado
dc.rightshttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dc.sourceWeb of Science
dc.subjectPd(II)
dc.subjectL-alliin
dc.subjectInfrared
dc.subjectNMR
dc.subjectAntibacterial agent
dc.subjectAntitumor activity
dc.subjectMolecular-orbital Methods
dc.subjectGaussian-type Basis
dc.subjectAssays In-vitro
dc.subjectPalladium(ii) Complex
dc.subjectStructural-characterization
dc.subjectMethionine Sulfoxide
dc.subjectBiological-activity
dc.subjectOrganic-molecules
dc.subjectPlatinum(ii)
dc.subjectLigands
dc.titleSynthesis, spectroscopic characterization, DFT studies, and antibacterial and antitumor activities of a novel water soluble Pd(II) complex with L-alliin
dc.typeArtículos de revistas


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