In vitro and in silico analysis of new n-butyl and isobutyl quinoxaline-7-carboxylate 1,4-di-N-oxide derivatives against trypanosoma cruzi as Trypanothione reductase inhibitors
American trypanosomiasis is a worldwide health problem that requires attention due to ineffective treatment options. We evaluated n-butyl and isobutyl quinoxaline-7-carboxylate 1,4-di-N-oxide derivatives against trypomastigotes of the Trypanosoma cruzi strains NINOA and INC-5. An in silico analysis...
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| Hauptverfasser: | , , , , , , , , , , , |
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| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
1 November 2022
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| In: |
International journal of molecular sciences
Year: 2022, Jahrgang: 23, Heft: 21, Pages: 1-18 |
| ISSN: | 1422-0067 |
| DOI: | 10.3390/ijms232113315 |
| Online-Zugang: | Verlag, lizenzpflichtig, Volltext: https://doi.org/10.3390/ijms232113315 Verlag, lizenzpflichtig, Volltext: https://www.mdpi.com/1422-0067/23/21/13315 
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| Verfasserangaben: | Alonzo González-González, Oscar Sánchez-Sánchez, R. Luise Krauth-Siegel, Maria Laura Bolognesi, Rogelio Gớmez-Escobedo, Benjamín Nogueda-Torres, Lenci K. Vázquez-Jiménez, Emma Saavedra, Rusely Encalada, José Carlos Espinoza-Hicks, Alma D. Paz-González and Gildardo Rivera |
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| 245 | 1 | 0 | |a In vitro and in silico analysis of new n-butyl and isobutyl quinoxaline-7-carboxylate 1,4-di-N-oxide derivatives against trypanosoma cruzi as Trypanothione reductase inhibitors |c Alonzo González-González, Oscar Sánchez-Sánchez, R. Luise Krauth-Siegel, Maria Laura Bolognesi, Rogelio Gớmez-Escobedo, Benjamín Nogueda-Torres, Lenci K. Vázquez-Jiménez, Emma Saavedra, Rusely Encalada, José Carlos Espinoza-Hicks, Alma D. Paz-González and Gildardo Rivera |
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| 520 | |a American trypanosomiasis is a worldwide health problem that requires attention due to ineffective treatment options. We evaluated n-butyl and isobutyl quinoxaline-7-carboxylate 1,4-di-N-oxide derivatives against trypomastigotes of the Trypanosoma cruzi strains NINOA and INC-5. An in silico analysis of the interactions of 1,4-di-N-oxide on the active site of trypanothione reductase (TR) and an enzyme inhibition study was carried out. The n-butyl series compound identified as T-150 had the best trypanocidal activity against T. cruzi trypomastigotes, with a 13% TR inhibition at 44 μM. The derivative T-147 behaved as a mixed inhibitor with Ki and Ki’ inhibition constants of 11.4 and 60.8 µM, respectively. This finding is comparable to the TR inhibitor mepacrine (Ki = 19 µM). | ||
| 650 | 4 | |a 4-di-<i>N</i>-oxide | |
| 650 | 4 | |a Chagas disease | |
| 650 | 4 | |a chemical synthesis | |
| 650 | 4 | |a quinoxaline-1 | |
| 650 | 4 | |a trypanothione reductase | |
| 650 | 4 | |a trypomastigotes | |
| 700 | 1 | |a Sánchez-Sánchez, Oscar |e VerfasserIn |4 aut | |
| 700 | 1 | |a Krauth-Siegel, Renate |e VerfasserIn |0 (DE-588)1050022335 |0 (DE-627)783217390 |0 (DE-576)404300200 |4 aut | |
| 700 | 1 | |a Bolognesi, Maria Laura |e VerfasserIn |4 aut | |
| 700 | 1 | |a Gớmez-Escobedo, Rogelio |e VerfasserIn |4 aut | |
| 700 | 1 | |a Nogueda-Torres, Benjamín |e VerfasserIn |4 aut | |
| 700 | 1 | |a Vázquez-Jiménez, Lenci K. |e VerfasserIn |4 aut | |
| 700 | 1 | |a Saavedra, Emma |e VerfasserIn |4 aut | |
| 700 | 1 | |a Encalada, Rusely |e VerfasserIn |4 aut | |
| 700 | 1 | |a Espinoza-Hicks, José Carlos |e VerfasserIn |4 aut | |
| 700 | 1 | |a Paz-González, Alma D. |e VerfasserIn |4 aut | |
| 700 | 1 | |a Rivera, Gildardo |e VerfasserIn |4 aut | |
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