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    dc.contributor.authorBonilla Rozo, Edwin Leonel.-
    dc.date.accessioned2025-06-25T14:11:48Z-
    dc.date.available2022-
    dc.date.available2025-06-25T14:11:48Z-
    dc.date.issued2022-
    dc.identifier.citationBonilla Rozo, E. L. (2022). Diseño racional de Inhibidores de la Enzima 5α-Reductasa I [Trabajo de Grado Pregrado, Universidad de Pamplona]. Repositorio Hulago Universidad de Pamplona. http://repositoriodspace.unipamplona.edu.co/jspui/handle/20.500.12744/9640es_CO
    dc.identifier.urihttp://repositoriodspace.unipamplona.edu.co/jspui/handle/20.500.12744/9640-
    dc.descriptionDISEÑO RACIONAL DE INHIBIDORES DE LA ENZIMA 5α-REDUCTASA I En el presente trabajo se propuso un set de 48 compuestos inspirados en el ácido androsta-3,5-dieno-3 carboxílico 17-arilcarbamoil sustituido, del cual se encontraron 4 ligandos con perfiles prometedores como inhibidores de la enzima 5αR1. Para esto, se modeló la estructura 3D de la isoforma 1 a través del método de homología de proteínas, asimismo, se optimizó y se validó la estructura 3D de la enzima 5 alfa reductasa tipo 1 con algunos ligandos con actividad inhibitoria reportada. Una vez optimizada y validada la enzima, se realizó el diseño del set de ligandos empleando el método de reemplazo bio-isostérico, en el anillo A y anillo aromático de la estructura base. Una vez construidos, los ligandos fueron sometidos a un filtro de tres pasos: análisis de propiedades ADME-T, acoplamiento y dinámica molecular. La información obtenida en el presente trabajo de investigación puede servir de base para el desarrollo de compuestos bioactivos contra la enzima 5αR1 y a su vez, contra la hiperplasia prostática benigna y el cáncer de próstata.es_CO
    dc.description.abstractEl autor no proporciona la información sobre este ítem.es_CO
    dc.format.extent92es_CO
    dc.format.mimetypeapplication/pdfes_CO
    dc.language.isoeses_CO
    dc.publisherUniversidad de Pamplona – Facultad de Ciencias Básicas.es_CO
    dc.subjectHomología de proteínas.es_CO
    dc.subjectBioisosteres.es_CO
    dc.subjectHiperplasia prostática benigna.es_CO
    dc.subjectCáncer de próstata.es_CO
    dc.subject5a-reductasa.es_CO
    dc.subjectAcoplamiento molecular.es_CO
    dc.titleDiseño racional de Inhibidores de la Enzima 5α-Reductasa I.es_CO
    dc.typehttp://purl.org/coar/resource_type/c_7a1fes_CO
    dc.date.accepted2022-
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