Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: conformational analysis and binding mode of multisite inhibitors

Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: conformational analysis and binding mode of multisite inhibitors

The critical role of BACE-1 in the formation of neurotoxic ß-amyloid peptides in the brain makes it an attractive target for an efficacious treatment of Alzheimer’s disease. However, the development of clinically useful BACE-1 inhibitors has proven to be extremely challeng- ing. In this study we exa...

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Bibliographic Details
Main Authors: Di Pietro, Ornella, Juarez-Jimenez, Jordi, Munoz-Torrero, Diego, Laughton, Charles A., Luque, F. Javier
Format: Article
Published: Public Library of Science 2017
Online Access:https://eprints.nottingham.ac.uk/42945/

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