β-Secretase (BACE-1) inhibitors: Accounting for 10s loop flexibility using rigid active sites

Bioorganic and Medicinal Chemistry Letters

Volumn 17, Issue 4, 2007, Pages 1117-1121

  McGaughey, Georgia B ^a   Colussi, Dennis ^a   Graham, Samuel L ^a   Lai, Ming Tain ^a   Munshi, Sanjeev K ^a   Nantermet, Philippe G ^a   Pietrak, Beth ^a   Rajapakse, Hemaka A ^a   Selnick, Harold G ^a   Stauffer, Shaun R ^a   Holloway, M Katharine ^a  

^a MERCK RESEARCH LABORATORIES   (United States)

Author keywords

BACE; Molecular mechanics; Molecular modeling; Scoring functions; Tertiary carbinamine inhibitors

Indexed keywords

BETA SECRETASE; BETA SECRETASE INHIBITOR; METHYLAMINE;

ARTICLE; CORRELATION ANALYSIS; CRYSTAL STRUCTURE; DRUG ACTIVITY; DRUG STRUCTURE; ENZYME INHIBITION; STRUCTURE ANALYSIS; X RAY CRYSTALLOGRAPHY;

AMYLOID PRECURSOR PROTEIN SECRETASES; ASPARTIC ACID; BINDING SITES; CATALYSIS; CHEMISTRY, PHYSICAL; CRYSTALLOGRAPHY, X-RAY; ENZYME INHIBITORS; LIGANDS; MOLECULAR CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 33846623654     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2006.11.003     Document Type: Article

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