Identificación in silico de moléculas con potencial actividad polifuncional contra blancos moleculares asociados al tratamiento de la diabesidad

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dc.contributor.advisorLópez Vallejo, Fabián Harveyspa
dc.contributor.authorLuque Obando, Diana Marcelaspa
dc.contributor.researchgroupGrupo de Investigación en Química de Productos Naturales Vegetales Bioactivos (Quipronab)spa
dc.date.accessioned2025-07-14T16:13:15Z
dc.date.available2025-07-14T16:13:15Z
dc.date.issued2024
dc.descriptionilustraciones a color, diagramasspa
dc.description.abstractIdentificación in silico de moléculas con potencial actividad polifuncional contra blancos moleculares asociados al tratamiento de la diabesidad La obesidad y la diabetes mellitus 2 (DM2) son dos enfermedades crónicas que han ido aumentando a un ritmo cada vez mayor, en los últimos años alrededor del mundo, constituyendo un verdadero problema de salud pública. El término diabesidad es usado para referirse a los efectos generados tanto por la diabetes como por la obesidad, en individuos que padecen ambas enfermedades(Halpern & Mancini, 2005). El tratamiento comúnmente utilizado en pacientes con DM2, se basa en la utilización de fármacos que controlan el nivel glucémico, ya que el manejo óptimo de la concentración de azúcar en sangre es prioridad para los pacientes con diabesidad. Un control deficiente de la DM2 se asocia con complicaciones sistémicas bastante graves. Sin embargo, estos fármacos antidiabéticos tienden a tener efectos secundarios, como el aumento del peso corporal, lo cual va en contra del manejo adecuado de la diabesidad (Gorgojo-Martínez, 2014a). El tratamiento farmacológico para la diabesidad no difiere del utilizado en pacientes con DM2. Sin embargo, no se han encontrado medicamentos asociados que permitan una reducción notable de la diabesidad (Pappachan et al., 2019b). Lo que se ha demostrado, es la aparición de efectos secundarios como la hipoglucemia y el aumento de peso, cuando se usan los medicamentos antidiabéticos comúnmente utilizados como inhibidores de la α-glucosidasa, sulfonilureas, tiazolidinedionas, a excepción de la metformina (M. Decara et al., 2022). Por tal motivo, es necesario encontrar nuevos blancos terapéuticos o moléculas con actividad polifuncional que minimicen los efectos secundarios asociados a la medicación convencional y conduzcan a un control adecuado tanto de la DM2 como de la obesidad. A partir de un estudio in silico, aplicando una estrategia de reposicionamiento de fármacos, en este trabajo se identificaron 9 moléculas potencialmente activas y polifuncionales contra 3 blancos moleculares usados para el tratamiento de la obesidad y la diabetes; GPR119; receptor acoplado a proteína G119, TGR5; a menudo llamado receptor de ácidos biliares acoplado a proteína G y enteropeptidasa (Gupta et al., 2021) (Texto tomado de la fuente).spa
dc.description.abstractObesity and type 2 diabetes mellitus (DM2) are two chronic diseases that have been increasing at a growing rate in recent years around the world, constituting a true public health problem. The term diabesity is used to refer to the effects generated by both diabetes and obesity, in individuals who suffer from both diseases. The treatment commonly used in patients with DM2 is based on the use of drugs that control the glycemic level, since optimal management of blood sugar concentration is a priority for patients with diabetes. Poor control of T2DM is associated with quite serious systemic complications. However, these antidiabetic drugs tend to have side effects, such as increased body weight, which goes against the proper management of diabesity. Pharmacological treatment for diabetes does not differ from that used in patients with DM2. However, no associated medications have been found that allow a notable reduction in Diabesity (Pappachan et al., 2019a). What has been demonstrated is the appearance of side effects such as hypoglycemia and weight gain, when using antidiabetic medications used as α-glucosidase inhibitors, sulfonylureas, thiazolidinediones, with the exception of metformin (M. Decara et al., 2022). For this reason, it is necessary to find either novel molecular targets or polypharmacological drugs that minimize the side effects associated with conventional medication and lead to adequate control of both DM2 and obesity. Based on an in silico study applying a drug repositioning strategy, in this work, potentially active and polyfunctional molecules were identified against 3 molecular targets used for the treatment of obesity and diabetes; GPR119; G protein-coupled receptor 119, TGR5; often called G protein-coupled bile acid receptor and enteropeptidase (Gupta et al., 2021).eng
dc.description.degreelevelMaestríaspa
dc.description.degreenameMagíster en Ciencias - Químicaspa
dc.description.methods1. Estado del arte de los blancos moleculares existentes para Diabesidad. Revisión bibliográfica para GPR119, EP y TGR5 2. Estudios de cribado virtual 3. Identificación de moléculas con potencial actividad polifuncional para los tres blancos terapéuticos (GPR119, EP y TGR5)spa
dc.description.researchareaQuímica medicinal y modelamiento molecularspa
dc.format.extent153 páginasspa
dc.format.mimetypeapplication/pdfspa
dc.identifier.instnameUniversidad Nacional de Colombiaspa
dc.identifier.reponameRepositorio Institucional Universidad Nacional de Colombiaspa
dc.identifier.repourlhttps://repositorio.unal.edu.co/spa
dc.identifier.urihttps://repositorio.unal.edu.co/handle/unal/88336
dc.language.isospaspa
dc.publisherUniversidad Nacional de Colombiaspa
dc.publisher.branchUniversidad Nacional de Colombia - Sede Bogotáspa
dc.publisher.facultyFacultad de Cienciasspa
dc.publisher.placeBogotá, Colombiaspa
dc.publisher.programBogotá - Ciencias - Maestría en Ciencias - Químicaspa
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dc.rights.accessrightsinfo:eu-repo/semantics/openAccessspa
dc.rights.licenseReconocimiento 4.0 Internacionalspa
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/spa
dc.subject.ddc610 - Medicina y salud::615 - Farmacología y terapéuticaspa
dc.subject.ddc660 - Ingeniería químicaspa
dc.subject.decsDiabesidadspa
dc.subject.decsDiabesityeng
dc.subject.decsComplicaciones de la Diabetesspa
dc.subject.decsDiabetes Complicationseng
dc.subject.decsObesidadspa
dc.subject.decsObesityeng
dc.subject.decsDiabetes Mellitus Tipo 2spa
dc.subject.decsDiabetes Mellitus, Type 2eng
dc.subject.decsEnfermedad Crónicaspa
dc.subject.decsChronic Diseaseeng
dc.subject.decsControl Glucémicospa
dc.subject.decsGlycemic Controleng
dc.subject.proposalDiabesidadspa
dc.subject.proposalAcoplamiento molecularspa
dc.subject.proposalReposicionamiento de fármacosspa
dc.subject.proposalBlancos molecularesspa
dc.subject.proposalPolifuncionalspa
dc.subject.proposalDiabesityeng
dc.subject.proposalMolecular dockingeng
dc.subject.proposalDrug repositioningeng
dc.subject.proposalMolecular targetseng
dc.subject.proposalPolyfunctionaleng
dc.titleIdentificación in silico de moléculas con potencial actividad polifuncional contra blancos moleculares asociados al tratamiento de la diabesidadspa
dc.title.translatedIn silico identification of molecules with potential polyfunctional activity against molecular targets associated with the treatment of diabesityeng
dc.typeTrabajo de grado - Maestríaspa
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dcterms.audience.professionaldevelopmentMaestrosspa
dcterms.audience.professionaldevelopmentPúblico generalspa
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Tesis de Maestría en Ciencias Química
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Maestría en Ciencias - Química