Discovery of novel cathepsin S inhibitors by pharmacophore-based virtual high-throughput screening

Journal of Chemical Information and Modeling

Volumn 48, Issue 8, 2008, Pages 1693-1705

  Markt, Patrick ^a   McGoohan, Caroline ^b   Walker, Brian ^b   Kirchmair, Johannes ^a,c   Feldmann, Clemens ^a   De Martino, Gabriella ^d   Spitzer, Gudrun ^a   Distinto, Simona ^e   Schuster, Daniela ^a,c   Wolber, Gerhard ^c   Laggner, Christian ^a   Langer, Thierry ^a,c  

^a UNIVERSITY OF INNSBRUCK   (Austria)

^b QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

^c Inte:Ligand GmbH   (Austria)

^d SAPIENZA UNIVERSITY OF ROME   (Italy)

^e UNIVERSITY OF CAGLIARI   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; CHEMICAL MODIFICATION; DISEASES; SCAFFOLDS;

AUTOIMMUNE DISORDER; CHEMICAL DATABASE; CYSTEINE PROTEASE; DRUG DEVELOPMENT; HIGH THROUGHPUT SCREENING; IN-VITRO EVALUATION; KINETIC CONSTANT; PHARMACOPHORE MODELS;

PHARMACODYNAMICS;

CATHEPSIN; CATHEPSIN S; ENZYME INHIBITOR; LIGAND;

ARTICLE; CATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; COMBINATORIAL CHEMISTRY; DRUG ANTAGONISM; DRUG SCREENING; KINETICS; METABOLISM; STRUCTURE ACTIVITY RELATION;

CATALYSIS; CATHEPSINS; COMBINATORIAL CHEMISTRY TECHNIQUES; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; KINETICS; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 52049118326     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800101j     Document Type: Article

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