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Discovery of a series of efficient, centrally efficacious BACE1 inhibitors through structure-based drug design.

Abstract：

:The identification of centrally efficacious β-secretase (BACE1) inhibitors for the treatment of Alzheimer's disease (AD) has historically been thwarted by an inability to maintain alignment of potency, brain availability, and desired absorption, distribution, metabolism, and excretion (ADME) properties. In this paper, we describe a series of truncated, fused thioamidines that are efficiently selective in garnering BACE1 activity without simultaneously inhibiting the closely related cathepsin D or negatively impacting brain penetration and ADME alignment, as exemplified by 36. Upon oral administration, these inhibitors exhibit robust brain availability and are efficacious in lowering central Amyloid β (Aβ) levels in mouse and dog. In addition, chronic treatment in aged PS1/APP mice effects a decrease in the number and size of Aβ-derived plaques. Most importantly, evaluation of 36 in a 2-week exploratory toxicology study revealed no accumulation of autofluorescent material in retinal pigment epithelium or histology findings in the eye, issues observed with earlier BACE1 inhibitors.

journal_name

J Med Chem

journal_title

Journal of medicinal chemistry

authors

Butler CR,Brodney MA,Beck EM,Barreiro G,Nolan CE,Pan F,Vajdos F,Parris K,Varghese AH,Helal CJ,Lira R,Doran SD,Riddell DR,Buzon LM,Dutra JK,Martinez-Alsina LA,Ogilvie K,Murray JC,Young JM,Atchison K,Robshaw A,Gon

doi

10.1021/jm501833t

subject

Has Abstract

pub_date

2015-03-26 00:00:00

pages

2678-702

issue

6

eissn

0022-2623

issn

1520-4804

journal_volume

58

pub_type

杂志文章

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