Combining ethnopharmacology and virtual screening for lead structure discovery: COX-inhibitors as application example

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 2, 2004, Pages 480-488

  Rollinger, Judith M ^a,b   Haupt, Sabine ^a   Stuppner, Hermann ^a,b   Langer, Thierry ^a,b  

^a UNIVERSITY OF INNSBRUCK   (Austria)

^b Software Engineering and Consulting   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; DATABASE SYSTEMS; DRUG PRODUCTS; ENZYMES; METABOLITES; MOLECULAR WEIGHT; PHARMACODYNAMICS; STATISTICAL METHODS;

ETHNOPHARMACOLOGY; LEAD STRUCTURE DISCOVERY;

LEAD;

CYCLOOXYGENASE 1; CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITOR; ISOENZYME; MATERIA MEDICA; PROSTAGLANDIN SYNTHASE; PROSTAGLANDIN SYNTHASE INHIBITOR;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG DESIGN; DRUG EFFECT; DRUG SCREENING; ETHNOPHARMACOLOGY; HEALTH CARE ORGANIZATION; METHODOLOGY; PROTEIN CONFORMATION; PROTEIN DATABASE; UNITED STATES;

COMPUTER SIMULATION; CYCLOOXYGENASE 1; CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITORS; CYCLOOXYGENASE INHIBITORS; DATABASES, PROTEIN; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; ETHNOPHARMACOLOGY; ISOENZYMES; MATERIA MEDICA; MODELS, MOLECULAR; NATIONAL INSTITUTES OF HEALTH (U.S.); PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES; PROTEIN CONFORMATION; UNITED STATES;

EID: 1842639389     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci030031o     Document Type: Article

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