Application of fragment-based NMR screening, X-ray crystallography, structure-based design, and focused chemical library design to identify novel microM leads for the development of nM BACE-1 (beta-site APP cleaving enzyme 1) inhibitors

Application of fragment-based NMR screening, X-ray crystallography, structure-based design, and focused chemical library design to identify novel microM leads for the development of nM BACE-1 (beta-site APP cleaving enzyme 1) inhibitors

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http://www.wikidata.org/entity/Q27658826

Q27658826

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Stepping closer to treating Alzheimer's disease patients with BACE1 inhibitor drugs Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor That Affords Robust CNS Aβ Reduction Virtual screening and structure-based discovery of indole acylguanidines as potent β-secretase (BACE1) inhibitors Application of consensus scoring and principal component analysis for virtual screening against β-secretase (BACE-1)Virtual and biophysical screening targeting the γ-tubulin complex--a new target for the inhibition of microtubule nucleation BcL-xL conformational changes upon fragment binding revealed by NMR Function, therapeutic potential and cell biology of BACE proteases: current status and future prospects.Alzheimer's disease: identification and development of β-secretase (BACE-1) binding fragments and inhibitors by dynamic ligation screening (DLS).Synergistic inhibitor binding to the papain-like protease of human SARS coronavirus: mechanistic and inhibitor design implications.High-Throughput Screening by Nuclear Magnetic Resonance (HTS by NMR) for the Identification of PPIs Antagonists A fluorescent approach for identifying P2X1 ligands Lessons from Hot Spot Analysis for Fragment-Based Drug Discovery.Sensitive and continuous screening of inhibitors of β-site amyloid precursor protein cleaving enzyme 1 (BACE1) at single SPR chips Advances in the identification of β-secretase inhibitors.NMR-based approaches for the identification and optimization of inhibitors of protein-protein interactions.2,2,2-Trifluoroethyl-thiadiazines: a patent evaluation of WO2016023927.Effect of pH and ligand charge state on BACE-1 fragment docking performance.Retrospective molecular docking study of WY-25105 ligand to β-secretase and bias of the three-dimensional structure flexibility.Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculations.Target specific proteochemometric model development for BACE1 - protein flexibility and structural water are critical in virtual screening.Results of Beta Secretase-Inhibitor Clinical Trials Support Amyloid Precursor Protein-Independent Generation of Beta Amyloid in Sporadic Alzheimer's Disease.Discovery of Inhibitors of Protein-Protein Interactions Using Fragment-Based Methods

P2860

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P2860

Application of fragment-based NMR screening, X-ray crystallography, structure-based design, and focused chemical library design to identify novel microM leads for the development of nM BACE-1 (beta-site APP cleaving enzyme 1) inhibitors

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http://www.wikidata.org/entity/Q27658826

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2010 nî lūn-bûn

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2010 թուականի Փետրուարին հրատարակուած գիտական յօդուած

@hyw

2010 թվականի փետրվարին հրատարակված գիտական հոդված

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2010年の論文

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2010年論文

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2010年論文

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2010年論文

@zh-hk

2010年論文

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2010年論文

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2010年论文

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