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First Attempts of the Use of Pt-195 NMR of Phenylbenzothiazole Complexes as Spectroscopic Technique for the Cancer Diagnosis

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dc.rights.license CC BY eng
dc.contributor.author Pereira, Bruna T. L. cze
dc.contributor.author Goncalves, Mateus A. cze
dc.contributor.author Mancini, Daiana T. cze
dc.contributor.author Kuča, Kamil cze
dc.contributor.author de Castro Ramalho, Teodorico cze
dc.date.accessioned 2020-06-07T20:51:56Z
dc.date.available 2020-06-07T20:51:56Z
dc.date.issued 2019 eng
dc.identifier.issn 1420-3049 eng
dc.identifier.uri http://hdl.handle.net/20.500.12603/341
dc.description.abstract Platinum 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 Pt-195 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. eng
dc.format p. "Article Number: 3970" eng
dc.language.iso eng eng
dc.publisher MDPI eng
dc.relation.ispartof MOLECULES, volume 24, issue: 21 eng
dc.subject platinum complexes eng
dc.subject Pt-195 NMR eng
dc.subject biological systems eng
dc.subject cancer diagnosis eng
dc.subject komplexy platiny cze
dc.subject Pt-195 NMR cze
dc.subject biologické systémy cze
dc.subject diagnóza rakoviny cze
dc.title First Attempts of the Use of Pt-195 NMR of Phenylbenzothiazole Complexes as Spectroscopic Technique for the Cancer Diagnosis eng
dc.title.alternative První pokusy o použití Pt-195 NMR komplexů fenylbenzothiazolu jako spektroskopické techniky pro diagnostiku rakoviny cze
dc.type article eng
dc.identifier.obd 43875751 eng
dc.identifier.wos 000498055500159 eng
dc.identifier.doi 10.3390/molecules24213970 eng
dc.description.abstract-translated Platinum 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 Pt-195 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. cze
dc.publicationstatus postprint eng
dc.peerreviewed yes eng
dc.source.url https://www.mdpi.com/1420-3049/24/21/3970/htm cze
dc.relation.publisherversion https://www.mdpi.com/1420-3049/24/21/3970/htm eng
dc.rights.access Open Access eng


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