Identificación y caracterización in silico de la zona de interación entre el péptido beta-amiloide y compuestos derivados del naftaleno
Year: 2012
Type: article
Abstract: Alzheimer’s disease (AD) is a neurodegenerative disorder characterized by the accumulation of amyloid plaques in the brain. AD is the leading cause of dementia in the aging population and an effective treatment is still unavailable. Increasing evidence suggests that the aggregation of the small peptide β-amyloid (Aβ) plays an important role in the development of disease. Understanding the interactions of Aβ with aggregation inhibitors at an atomic level is essential for the rational development of diagnostic and therapeutic tools. Herein, docking techniques were used (Autodock vina) to find and describe potential sites of interaction between Aβ and two sets of naphthalene derivative compounds (NDC), one of these sets was previously evaluated by QSAR (Quantitative structure–activityAlberto Bencomo-Martínez, Marquiza Sablón-Carrazana, Suchitil Rivera-Marrero, Chryslaine Rodríguez-Tanty, Yoanna María Álvarez-Ginarte* y Amaury Pupo-Meriño.**Dpto. de Neurodiagnóstico, Centro de Neurociencias de Cuba, Avenida 25, No. 15202 y calle 158, Playa, La Habana, Cuba. *Facultad de Química, Universidad de La Habana, Zapata s/n entre calles G y Carlitos Aguirre, El Vedado, Plaza de la Revolución, La Habana, Cuba. **Centro de Inmunología Molecular, Calle 15 y calle 216, Rpto. Atabey, Playa, La Habana, [email protected] CENIC Ciencias Químicas, Vol. 43, 2012.Recibido: 17 de marzo de 2012. Aceptado: 7 de septiembre de 2012.relationship) as potential Aβ aggregation inhibitor and the other synthesized in the laboratory. Docking simulations for each NDC were performed against 10 configurations from a NMR structure of the beta-amyloid peptide, obtained from
Source: Revista CENIC. Ciencias químicas
Language: Spanish
Subfield: Cellular and Molecular Neuroscience
Field: Neuroscience
Domain: Life Sciences
Open Access status: diamond
OpenAlex ID: W1575341680