β-Secretase-1: In Silico Drug Reposition for Alzheimer's Disease.

ABSTRACT: The β-secretase-1 enzyme (BACE-1) performs a key role in the production of beta-Amyloid protein (Aβ), which is associated with the development of Alzheimer's disease (AD). The inhibition of BACE-1 has been an important pharmacological strategy in the treatment of this neurodegenerative disease. This study aims to identify new potential candidates for the treatment of Alzheimer's with the help of in silico studies, such as molecular docking and ADME prediction, from a broad list of candidates provided by the DrugBank database. From this analysis, 1145 drugs capable of interacting with the enzyme with a higher coupling energy than Verubecestat were obtained, subsequently only 83 presented higher coupling energy than EJ7. Applying the oral route of administration as inclusion criteria,

SUBMITTER: Galeana-Ascencio RA 

PROVIDER: S-EPMC10179340 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature