Desarrollo de Nuevos Inhibidores de la Enzima Dihidroorotato Deshidrogenasa (DHODH) de Leishmania sp.
DOI:
https://doi.org/10.33448/rsd-v10i16.23087Palabras clave:
Leishmaniasis; DHODH; Nuevos inhibidores; Derivados nitro.Resumen
La leishmaniasis es una enfermedad desatendida y se considera una de las mayores enfermedades endémicas del mundo. Los parásitos causantes de la enfermedad desarrollaron resistencia contra los fármacos utilizados en la farmacoterapia de la enfermedad. Debido a esto, es necesario diseñar nuevos compuestos para tratar eficazmente esta parasitosis. Por lo tanto, en este artículo utilizamos enfoques de modelado molecular para diseñar nuevos inhibidores de la enzima Dihidroorotato deshidrogenasa (DHODH), un objetivo molecular contra la leishmaniasis. Inicialmente usamos el modelado molecular por homología para construir la enzima DHODH, luego se usaron metronidazol y benznidazol como marcos moleculares para el desarrollo de nuevos compuestos. Luego, se aplicó el método de acoplamiento molecular para evaluar el modo de interacción de los compuestos con el sitio de unión de la enzima. El modelo enzimático obtuvo el 96% de sus residuos en regiones favorables durante su proceso de validación. En las simulaciones de acoplamiento, los compuestos pudieron interactuar favorablemente con el sitio de unión y exhibir interacciones con residuos de proteínas.
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Derechos de autor 2021 Jorddy Neves da Cruz; Lucas Barbosa da Silva; João Soares de Sousa Filho; Joyce Karen Lima Vale
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