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dc.creatorPereira, Bruna T. L.-
dc.creatorGonçalves, Mateus A.-
dc.creatorMancini, Daiana T.-
dc.creatorKuca, Kamil-
dc.creatorRamalho, Teodorico C.-
dc.date.accessioned2020-05-14T17:01:03Z-
dc.date.available2020-05-14T17:01:03Z-
dc.date.issued2019-
dc.identifier.citationPEREIRA, B. T. L. et al. First attempts of the use of 195Pt NMR of phenylbenzothiazole complexes as spectroscopic technique for the cancer diagnosis. Molecules, [S.l.], v. 24, n. 21, 2019.pt_BR
dc.identifier.urihttps://www.mdpi.com/1420-3049/24/21/3970pt_BR
dc.identifier.urihttp://repositorio.ufla.br/jspui/handle/1/40910-
dc.description.abstractPlatinum complexes have been studied for cancer treatment for several decades. Furthermore, another important platinum characteristic is related to its chemical shifts, in which some studies have shown that the 195Pt chemical shifts are very sensitive to the environment, coordination sphere, and oxidation state. Based on this relevant feature, Pt complexes can be proposed as potential probes for NMR spectroscopy, as the chemical shifts values will be different in different tissues (healthy and damaged) Therefore, in this paper, the main goal was to investigate the behavior of Pt chemical shifts in the different environments. Calculations were carried out in vacuum, implicit solvent, and inside the active site of P13K enzyme, which is related with breast cancer, using the density functional theory (DFT) method. Moreover, the investigation of platinum complexes with a selective moiety can contribute to early cancer diagnosis. Accordingly, the Pt complexes selected for this study presented a selective moiety, the 2-(4′aminophenyl)benzothiazole derivative. More specifically, two Pt complexes were used herein: One containing chlorine ligands and one containing water in place of chlorine. Some studies have shown that platinum complexes coordinated to chlorine atoms may suffer hydrolyses inside the cell due to the low chloride ion concentration. Thus, the same calculations were performed for both complexes. The results showed that both complexes presented different chemical shift values in the different proposed environments. Therefore, this paper shows that platinum complexes can be a potential probe in biological systems, and they should be studied not only for cancer treatment, but also for diagnosis.pt_BR
dc.languageen_USpt_BR
dc.publisherMultidisciplinary Digital Publishing Institutept_BR
dc.rightsrestrictAccesspt_BR
dc.sourceMoleculespt_BR
dc.subjectPlatinum complexespt_BR
dc.subject195Pt NMRpt_BR
dc.subjectBiological systemspt_BR
dc.subjectCancer diagnosispt_BR
dc.titleFirst attempts of the use of 195Pt NMR of phenylbenzothiazole complexes as spectroscopic technique for the cancer diagnosispt_BR
dc.typeArtigopt_BR
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