Identificación y caracterización in silico de la zona de interación entre el péptido beta-amiloide y compuestos derivados del naftaleno In silico identification and characterization of the interaction sites between compounds derivate from naphthalene and beta-amyloid peptide

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-activity