Diseño relacional de fármacos contra la enfermedad de Alzheimer: estudios QSAR y de acoplamiento molecular
Palavras-chave:
enfermedad de Alzheimer; acetilcolinesterasa; péptido β-amiloide; QSAR; acoplamiento molecular.Resumo
La enfermedad de Alzheimer (EA) es un trastorno neurológico caracterizado por la pérdida progresiva de la memoria, debido a procesos bioquímicos de origen multifactorial. Esto conduce a la disrupción de la sinapsis neuronal, y como consecuencia, a la demencia. En el presente trabajo se realizaron estudios de relación estructura-actividad y de acoplamiento molecular para dos series de compuestos con actividad biológica in vitro frente a dos blancos terapéuticos para la EA: con efecto antiagregante del péptido β-amiloide y con actividad inhibidora de la enzima acetilcolinesterasa. Se obtuvo un modelo significativo y predictivo de dependencia de la actividad inhibitoria al 50 % (IC50) para cada serie. Los resultados de acoplamiento molecular predicen un posible modo de interacción de los compuestos con cada blanco terapéutico estudiado.
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Copyright (c) 2022 Alberto Bencomo-Martínez, Yoanna María Álvarez-Ginarte, Ayron Thomas Sánchez-Tamayo, Marquiza Sablón-Carrazana, Chryslaine Rodríguez-Tanty
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