Methods for computer-aided chemical biology. Part 5: Rationalizing the selectivity of cathepsin inhibitors on the basis of molecular fragments and topological feature distributions

Chemical Biology and Drug Design

Volumn 74, Issue 2, 2009, Pages 129-141

  Ahmed, Hany E A ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

Cathepsin inhibitors; Chemical biology; Chemoinformatics; Compound selectivity; Layered atom environments; Molecular fragmentation; Structural features; Structure selectivity relationships

Indexed keywords

BIOLOGICAL MARKER; CATHEPSIN; CATHEPSIN INHIBITOR; CYSTEINE PROTEINASE INHIBITOR; THIOL PROTEINASE; UNCLASSIFIED DRUG;

ARTICLE; COMPUTER AIDED DESIGN; DRUG STRUCTURE; GENE MAPPING; GENE SEQUENCE; PRIORITY JOURNAL; PROTEIN LOCALIZATION; PROTEIN TARGETING;

CATHEPSINS; COMBINATORIAL CHEMISTRY TECHNIQUES; COMPUTER-AIDED DESIGN; PROTEASE INHIBITORS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 67651250811     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2009.00848.x     Document Type: Article

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