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7 News |  |
- | Venclexta (venetoclax) / Roche, AbbVie, MIK-665 / Novartis, AZD3839 / AstraZeneca
Journal: Fragment-Based Drug Discovery by NMR. Where Are the Successes and Where can It Be Improved? (Pubmed Central) - Mar 8, 2022
More precisely, we examine the development history from the primary screening to the final lead optimisation of AZD3839 interacting with BACE-1, ABT-199 interacting with BCL and S64315 interacting with MCL-1. Based on these studies, we derive observations and conclusions regarding the FBDD process by NMR and discuss its potential improvements.
- | AZD3839 / AstraZeneca, lanabecestat (AZD3293) / AstraZeneca, Eli Lilly
Journal: A series of molecular modeling techniques to reveal selective mechanisms of inhibitors to β-Site amyloid precursor protein cleaving enzyme 1 (BACE1) and β-Site amyloid precursor protein cleaving enzyme 2 (BACE2). (Pubmed Central) - Jul 4, 2021
In addition, the umbrella sampling simulations revealed the inhibitors' different patterns of dissociation from the binding pockets of BACE1 and BACE2, and that different energy barriers were responsible for the selectivity. The physical principles revealed by this study may facilitate the rational design of more potent BACE1 selective inhibitors.
- ||| AZD3839 / AstraZeneca
Biomarker, Trial completion: Assessment of Safety, Tolerability and Blood Concentrations of Single Doses of AZD3839 in Healthy Volunteers (clinicaltrials.gov) - Apr 4, 2012
P1, N=72, Completed, Sponsor: AstraZeneca
The physical principles revealed by this study may facilitate the rational design of more potent BACE1 selective inhibitors. Recruiting --> Completed