Estudios DFT de sistemas modelo de complejos Fe2+/3+-Aβ y propiedades antiagregantes de polifenoles y carotenoides en la enfermedad de Alzheimer

ilustraciones, diagramas

Autores:: Orjuela Rocha, Adrian Leonardo

Tipo de recurso:: Doctoral thesis

Fecha de publicación:: 2024

Institución:: Universidad Nacional de Colombia

Repositorio:: Universidad Nacional de Colombia

Idioma:: spa

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dc.title.spa.fl_str_mv	Estudios DFT de sistemas modelo de complejos Fe2+/3+-Aβ y propiedades antiagregantes de polifenoles y carotenoides en la enfermedad de Alzheimer
dc.title.translated.eng.fl_str_mv	DFT studies of Fe2+/3+-Aβ model systems and antiaggregation properties of polyphenols and carotenoids in Alzheimer's disease
title	Estudios DFT de sistemas modelo de complejos Fe2+/3+-Aβ y propiedades antiagregantes de polifenoles y carotenoides en la enfermedad de Alzheimer
spellingShingle	Estudios DFT de sistemas modelo de complejos Fe2+/3+-Aβ y propiedades antiagregantes de polifenoles y carotenoides en la enfermedad de Alzheimer 540 - Química y ciencias afines::541 - Química física 610 - Medicina y salud::615 - Farmacología y terapéutica Hierro/análisis Placa Amiloide/prevención & control Enfermedad de Alzheimer/tratamiento farmacológico Iron/analysis Plaque, Amyloid/prevention & control Alzheimer Disease/drug therapy Alzheimer DFT Hierro Dinámica Molecular Acoplamiento molecular Productos naturales Alzheimer DFT Iron Molecular dynamics Molecular docking Natural products
title_short	Estudios DFT de sistemas modelo de complejos Fe2+/3+-Aβ y propiedades antiagregantes de polifenoles y carotenoides en la enfermedad de Alzheimer
title_full	Estudios DFT de sistemas modelo de complejos Fe2+/3+-Aβ y propiedades antiagregantes de polifenoles y carotenoides en la enfermedad de Alzheimer
title_fullStr	Estudios DFT de sistemas modelo de complejos Fe2+/3+-Aβ y propiedades antiagregantes de polifenoles y carotenoides en la enfermedad de Alzheimer
title_full_unstemmed	Estudios DFT de sistemas modelo de complejos Fe2+/3+-Aβ y propiedades antiagregantes de polifenoles y carotenoides en la enfermedad de Alzheimer
title_sort	Estudios DFT de sistemas modelo de complejos Fe2+/3+-Aβ y propiedades antiagregantes de polifenoles y carotenoides en la enfermedad de Alzheimer
dc.creator.fl_str_mv	Orjuela Rocha, Adrian Leonardo
dc.contributor.advisor.spa.fl_str_mv	Alí Torres, Jorge Isaac Núñez Zarur, Francisco
dc.contributor.author.spa.fl_str_mv	Orjuela Rocha, Adrian Leonardo
dc.contributor.researchgroup.spa.fl_str_mv	Química Cuántica y Computacional
dc.contributor.orcid.spa.fl_str_mv	0000-0003-2789-3948
dc.subject.ddc.spa.fl_str_mv	540 - Química y ciencias afines::541 - Química física 610 - Medicina y salud::615 - Farmacología y terapéutica
topic	540 - Química y ciencias afines::541 - Química física 610 - Medicina y salud::615 - Farmacología y terapéutica Hierro/análisis Placa Amiloide/prevención & control Enfermedad de Alzheimer/tratamiento farmacológico Iron/analysis Plaque, Amyloid/prevention & control Alzheimer Disease/drug therapy Alzheimer DFT Hierro Dinámica Molecular Acoplamiento molecular Productos naturales Alzheimer DFT Iron Molecular dynamics Molecular docking Natural products
dc.subject.decs.spa.fl_str_mv	Hierro/análisis Placa Amiloide/prevención & control Enfermedad de Alzheimer/tratamiento farmacológico
dc.subject.decs.eng.fl_str_mv	Iron/analysis Plaque, Amyloid/prevention & control Alzheimer Disease/drug therapy
dc.subject.proposal.spa.fl_str_mv	Alzheimer DFT Hierro Dinámica Molecular Acoplamiento molecular Productos naturales
dc.subject.proposal.eng.fl_str_mv	Alzheimer DFT Iron Molecular dynamics Molecular docking Natural products
description	ilustraciones, diagramas
publishDate	2024
dc.date.accessioned.none.fl_str_mv	2024-06-11T21:27:57Z
dc.date.available.none.fl_str_mv	2024-06-11T21:27:57Z
dc.date.issued.none.fl_str_mv	2024
dc.type.spa.fl_str_mv	Trabajo de grado - Doctorado
dc.type.driver.spa.fl_str_mv	info:eu-repo/semantics/doctoralThesis
dc.type.version.spa.fl_str_mv	info:eu-repo/semantics/acceptedVersion
dc.type.coar.spa.fl_str_mv	http://purl.org/coar/resource_type/c_db06
dc.type.content.spa.fl_str_mv	Text
dc.type.redcol.spa.fl_str_mv	http://purl.org/redcol/resource_type/TD
format	http://purl.org/coar/resource_type/c_db06
status_str	acceptedVersion
dc.identifier.uri.none.fl_str_mv	https://repositorio.unal.edu.co/handle/unal/86226
dc.identifier.instname.spa.fl_str_mv	Universidad Nacional de Colombia
dc.identifier.reponame.spa.fl_str_mv	Repositorio Institucional Universidad Nacional de Colombia
dc.identifier.repourl.spa.fl_str_mv	https://repositorio.unal.edu.co/
url	https://repositorio.unal.edu.co/handle/unal/86226 https://repositorio.unal.edu.co/
identifier_str_mv	Universidad Nacional de Colombia Repositorio Institucional Universidad Nacional de Colombia
dc.language.iso.spa.fl_str_mv	spa
language	spa
dc.relation.indexed.spa.fl_str_mv	Bireme
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dc.format.extent.spa.fl_str_mv	xix, 129 páginas
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dc.publisher.spa.fl_str_mv	Universidad Nacional de Colombia
dc.publisher.program.spa.fl_str_mv	Bogotá - Ciencias - Doctorado en Ciencias - Química
dc.publisher.faculty.spa.fl_str_mv	Facultad de Ciencias
dc.publisher.place.spa.fl_str_mv	Bogotá, Colombia
dc.publisher.branch.spa.fl_str_mv	Universidad Nacional de Colombia - Sede Bogotá
institution	Universidad Nacional de Colombia
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spelling	Atribución-NoComercial-CompartirIgual 4.0 Internacionalhttp://creativecommons.org/licenses/by-nc-sa/4.0/info:eu-repo/semantics/openAccesshttp://purl.org/coar/access_right/c_abf2Alí Torres, Jorge Isaac5ad92e519d0adeb5c7ce64cdd274cafaNúñez Zarur, Franciscoabd9d4b3b6c73fc01d3377ebac80d00b600Orjuela Rocha, Adrian Leonardo20e701ba93ace42abb60d060be3ed6c7Química Cuántica y Computacional0000-0003-2789-39482024-06-11T21:27:57Z2024-06-11T21:27:57Z2024https://repositorio.unal.edu.co/handle/unal/86226Universidad Nacional de ColombiaRepositorio Institucional Universidad Nacional de Colombiahttps://repositorio.unal.edu.co/ilustraciones, diagramasLa enfermedad de Alzheimer, una compleja afección multifactorial, implica una serie de factores entre los cuales destaca la hipótesis del papel del hierro en los procesos de neurodegeneración y en la formación de placas amiloides. En este contexto, el presente estudio se enfocó en el uso de métodos computacionales para predecir el potencial estándar de reducción y la generación de especies reactivas mediante complejos Fe-Aβ Los resultados incluyen el desarrollo de una metodología avanzada para el tratamiento de complejos de hierro, así como una propuesta sobre la reactividad y la formación de peroxído de hidrógeno. Además, se elaboró una metodología específica para investigar el potencial antiagregante de derivados de curcumina. Esta misma técnica se aplicó para evaluar la actividad antiagregante de varios carotenoides presentes en el mamey rojo, ampliando así el espectro de posibles intervenciones terapéuticas en la lucha contra la enfermedad de Alzheimer. Estos avances representan un paso significativo en la comprensión y tratamiento de esta enfermedad, abriendo nuevas vías de investigación para combatir sus efectos neurodegenerativos. (Texto tomado de la fuente).Alzheimer’s disease, a complex multifactorial condition, involves a series of factors among which the hypothesis of iron’s role in neurodegeneration processes and amyloid plaque formation stands out. In this context, the present study focused on the use of computational methods to predict the standard reduction potential and the generation of reactive species through Fe-Aβ complexes. The results include the development of an advanced methodology for the treatment of iron complexes, as well as a proposal on reactivity and the formation of H2O2. Additionally, a specific methodology was developed to investigate the antiaggregating potential of curcumin derivatives. This same technique was applied to evaluate the anti-aggregating activity of various carotenoids present in red mamey, thus expanding the spectrum of possible therapeutic interventions in the fight against Alzheimer’s disease. These advances represent a significant step in the understanding and treatment of this disease, opening new avenues of research to combat its neurodegenerative effects.DoctoradoDoctor en Ciencias - QuímicaQuímica computacionalxix, 129 páginasapplication/pdfspaUniversidad Nacional de ColombiaBogotá - Ciencias - Doctorado en Ciencias - QuímicaFacultad de CienciasBogotá, ColombiaUniversidad Nacional de Colombia - Sede Bogotá540 - Química y ciencias afines::541 - Química física610 - Medicina y salud::615 - Farmacología y terapéuticaHierro/análisisPlaca Amiloide/prevención & controlEnfermedad de Alzheimer/tratamiento farmacológicoIron/analysisPlaque, Amyloid/prevention & controlAlzheimer Disease/drug therapyAlzheimerDFTHierroDinámica MolecularAcoplamiento molecularProductos naturalesAlzheimerDFTIronMolecular dynamicsMolecular dockingNatural productsEstudios DFT de sistemas modelo de complejos Fe2+/3+-Aβ y propiedades antiagregantes de polifenoles y carotenoides en la enfermedad de AlzheimerDFT studies of Fe2+/3+-Aβ model systems and antiaggregation properties of polyphenols and carotenoids in Alzheimer's diseaseTrabajo de grado - Doctoradoinfo:eu-repo/semantics/doctoralThesisinfo:eu-repo/semantics/acceptedVersionhttp://purl.org/coar/resource_type/c_db06Texthttp://purl.org/redcol/resource_type/TDBiremeJ. 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Kovacs, “The first example of a nitrile hydratase model complex that reversibly binds nitriles,” Journal of the American Chemical Society, vol. 124, pp. 11417–11428, 2002Diseño computacional, síntesis y estudios preliminares de actividad biológica de ligandos multifuncionales de cobre con potencial redox controlado, para su aplicación en el tratamiento de la enfermedad de AlzheimerVicerrectoría de Investigación Universidad Nacional de ColombiaInvestigadoresLICENSElicense.txtlicense.txttext/plain; charset=utf-85879https://repositorio.unal.edu.co/bitstream/unal/86226/1/license.txteb34b1cf90b7e1103fc9dfd26be24b4aMD51ORIGINALTesis_Adrian__Final.pdfTesis_Adrian__Final.pdfTesis de Doctorado en Ciencias - Químicaapplication/pdf12328991https://repositorio.unal.edu.co/bitstream/unal/86226/2/Tesis_Adrian__Final.pdf68fceff587d28c035f601e9a7d509088MD52THUMBNAILTesis_Adrian__Final.pdf.jpgTesis_Adrian__Final.pdf.jpgGenerated 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Estudios DFT de sistemas modelo de complejos Fe2+/3+-Aβ y propiedades antiagregantes de polifenoles y carotenoides en la enfermedad de Alzheimer

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