Discovery of cell-permeable non-peptide inhibitors of β-secretase by high-throughput docking and continuum electrostatics calculations

Journal of Medicinal Chemistry

Volumn 48, Issue 16, 2005, Pages 5108-5111

  Huang, Danzhi ^a   Lüthi, Urs ^b   Kolb, Peter ^a   Edler, Karin ^a,b   Cecchini, Marco ^a   Audetat, Stephan ^a,b   Barberis, Alcide ^b   Caflisch, Amedeo ^a  

^a UNIVERSITY OF ZURICH   (Switzerland)

^b ESBATech AG   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BETA SECRETASE; BETA SECRETASE INHIBITOR; CARBANILAMIDE DERIVATIVE; THIADIAZOLE DERIVATIVE;

ARTICLE; BINDING AFFINITY; CALCULATION; CELL MEMBRANE PERMEABILITY; CHEMOLUMINESCENCE; CONCENTRATION RESPONSE; CRYSTAL STRUCTURE; DRUG BINDING SITE; DRUG CONFORMATION; DRUG CYTOTOXICITY; ENZYME ACTIVE SITE; ENZYME INHIBITION; HIGH THROUGHPUT SCREENING; HUMAN; HUMAN CELL; IC 50; MAMMAL CELL; MOLECULAR DYNAMICS; MOLECULAR SIZE; STRUCTURE ACTIVITY RELATION;

AMYLOID PRECURSOR PROTEIN SECRETASES; ANIMALS; ASPARTIC ENDOPEPTIDASES; BINDING SITES; CARBANILIDES; CELL LINE; CELL MEMBRANE PERMEABILITY; DATABASES, FACTUAL; ELECTROSTATICS; ENDOPEPTIDASES; FLUORESCENCE RESONANCE ENERGY TRANSFER; MAMMALS; MODELS, MOLECULAR; PHENYLUREA COMPOUNDS; STRUCTURE-ACTIVITY RELATIONSHIP; THIADIAZOLES;

EID: 23444447457     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm050499d     Document Type: Article

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