In silico multi-filter screening approaches for developing novel β-secretase inhibitors

Bioorganic and Medicinal Chemistry Letters

Volumn 18, Issue 9, 2008, Pages 2771-2775

  Fujimoto, Taku ^a   Matsushita, Yasuo ^a   Gouda, Hiroaki ^a   Yamaotsu, Noriyuki ^a   Hirono, Shuichi ^a  

^a KITASATO UNIVERSITY   (Japan)

Author keywords

Secretase; Computational alanine scanning; Drug design; In silico screening; Ligand docking; MM PBSA

Indexed keywords

BETA SECRETASE INHIBITOR;

ARTICLE; BIOFILTER; COMPUTER MODEL; DATA BASE; DRUG STRUCTURE; HIGH THROUGHPUT SCREENING;

ALGORITHMS; AMYLOID PRECURSOR PROTEIN SECRETASES; BINDING SITES; COMPUTER SIMULATION; COMPUTER-AIDED DESIGN; DATABASES, FACTUAL; DRUG DESIGN; MOLECULAR CONFORMATION; PROTEASE INHIBITORS; THERMODYNAMICS;

EID: 42949114969     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2008.04.011     Document Type: Article

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