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dc.creatorVacas, A. (Andrés)-
dc.creatorFernández-Rubio, C. (Celia)-
dc.creatorAlgarabel, M. (Miriam)-
dc.creatorPeña-Guerrero, J. (José)-
dc.creatorLarrea, E. (Esther)-
dc.creatorFormiga, F.R. (Fabio R.)-
dc.creatorGarcía-Sosa, A.T. (Alfonso T.)-
dc.creatorNguewa, P.A. (Paul Alain)-
dc.date.accessioned2022-02-23T08:28:55Z-
dc.date.available2022-02-23T08:28:55Z-
dc.date.issued2019-
dc.identifier.citationVacas, A. (Andrés); Fernández-Rubio, C. (Celia); Algarabel, M. (Miriam); et al. "The novel serine/threonine protein kinase LmjF.22.0810 from leishmania major may be involved in the resistance to drugs such as paromomycin". Biomolecules. 9 (11), 2019, 723es_ES
dc.identifier.issn2218-273X-
dc.identifier.urihttps://hdl.handle.net/10171/62954-
dc.description.abstractThe identification and clarification of the mechanisms of action of drugs used against leishmaniasis may improve their administration regimens and prevent the development of resistant strains. Herein, for the first time, we describe the structure of the putatively essential Ser/Thr kinase LmjF.22.0810 from Leishmania major. Molecular dynamics simulations were performed to assess the stability of the kinase model. The analysis of its sequence and structure revealed two druggable sites on the protein. Furthermore, in silico docking of small molecules showed that aminoglycosides preferentially bind to the phosphorylation site of the protein. Given that transgenic LmjF.22.0810-overexpressing parasites displayed less sensitivity to aminoglycosides such as paromomycin, our predicted models support the idea that the mechanism of drug resistance observed in those transgenic parasites is the tight binding of such compounds to LmjF.22.0810 associated with its overexpression. These results may be helpful to understand the complex machinery of drug response in Leishmania.es_ES
dc.description.sponsorshipThis research was funded by Obra Social la Caixa and Fundación Caja Navarra, Gobierno de Navarra Salud (12/2017), Fundación Roviralta, Ubesol, Inversiones Garcilaso de la Vega S. L., by Government of Navarre and Laser Ebro. J.P.-G. was supported by a Ministerio de Educacion Cultura y Deporte fellowship (FPU17/03304). A.T.G.-S. thanks Haridus- ja teadusministeerium for grant IUT34-14.es_ES
dc.language.isoenges_ES
dc.publisherMDPI AGes_ES
dc.rightsinfo:eu-repo/semantics/openAccesses_ES
dc.subjectLeishmaniaes_ES
dc.subjectNTDes_ES
dc.subjectDockinges_ES
dc.subjectMolecular dynamicses_ES
dc.subjectDrug resistancees_ES
dc.subjectParomomycines_ES
dc.subjectKinasees_ES
dc.subjectTreatmentes_ES
dc.subjectLmjF.22.0810es_ES
dc.subjectLmJean3es_ES
dc.titleThe novel serine/threonine protein kinase LmjF.22.0810 from leishmania major may be involved in the resistance to drugs such as paromomycines_ES
dc.typeinfo:eu-repo/semantics/articlees_ES
dc.description.noteLicensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/)es_ES
dc.identifier.doi10.3390/biom9110723-
dadun.citation.number11es_ES
dadun.citation.publicationNameBiomoleculeses_ES
dadun.citation.startingPage723es_ES
dadun.citation.volume9es_ES

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