Hit expansion through computational selectivity searching

ChemMedChem

Volumn 4, Issue 1, 2009, Pages 52-54

  Stumpfe, Dagmar ^a   Frizler, Maxim ^a   Sisay, Mihiret T ^a   Batista, Jose ^a   Vogt, Ingo ^a   Gütschow, Michael ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

Cathepsin k inhibitors; Molecular similarity; Selectivity searching; Small molecules; Virtual screening

Indexed keywords

CATHEPSIN K INHIBITOR; CATHEPSIN L; CATHEPSIN S; COLLAGEN TYPE 1; CYSTEINE PROTEINASE; ELECTROPHILE; NITRILE; OSTEONECTIN; PAPAIN;

ANTIGEN PRESENTATION; APOPTOSIS; ARTICLE; AUTOIMMUNE DISEASE; BIOLOGICAL ACTIVITY; BONE DEFECT; BONE MATRIX; BONE REMODELING; CHEMICAL ANALYSIS; COMPUTER MODEL; DNA FINGERPRINTING; DRUG TARGETING; ENZYME ACTIVITY; ENZYME INHIBITION; HUMAN; OSTEOARTHRITIS; OSTEOCLAST; OSTEOPOROSIS; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN ANALYSIS; RHEUMATOID ARTHRITIS; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; CATHEPSINS; COMPUTATIONAL BIOLOGY; COMPUTER-AIDED DESIGN; DATABASES, FACTUAL; INHIBITORY CONCENTRATION 50; PROTEASE INHIBITORS;

EID: 58549115294     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.200800304     Document Type: Article

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