Predicting cyclooxygenase inhibition by three-dimensional pharmacophoric profiling. Part I: Model generation, validation and applicability in ethnopharmacology

Molecular Informatics

Volumn 29, Issue 1-2, 2010, Pages 75-86

  Schuster, Daniela ^a   Waltenberger, Birgit ^a   Kirchmair, Johannes ^a   Distinto, Simona ^a   Markt, Patrick ^a   Stuppner, Hermann ^a   Rollinger, Judith M ^a   Wolber, Gerhard ^a  

^a UNIVERSITY OF INNSBRUCK   (Austria)

Author keywords

Cyclooxygenase inhibitors; Ethnopharmacology; Medicinal chemistry; Molecular modeling; Parallel screening; Prasaplai

Indexed keywords

BINDING ENERGY; DIAGNOSIS;

CYCLOOXYGENASE INHIBITOR; CYCLOOXYGENASES; ETHNOPHARMACOLOGY; IN-SILICO; MEDICINAL CHEMISTRY; MODEL GENERATION; MODEL SET; NATURAL PRODUCTS; PARALLEL SCREENING; PRASAPLAI;

BIOACTIVITY;

4 [5 (4 BROMOPHENYL) 3 TRIFLUOROMETHYL 1H PYRAZOL 1 YL]BENZENESULFONAMIDE; 5 (4 CHLOROPHENYL) 1 (4 METHOXYPHENYL) 3 TRIFLUOROMETHYL 1H PYRAZOLE; ALCLOFENAC; CYCLOOXYGENASE 1 INHIBITOR; CYCLOOXYGENASE 2 INHIBITOR; DICLOFENAC; FLURBIPROFEN; HERBACEOUS AGENT; IBUPROFEN; INDOMETACIN; IODOSUPROFEN; NATURAL PRODUCT; PROSTAGLANDIN SYNTHASE; SULINDAC; UNCLASSIFIED DRUG;

ARTICLE; COMPUTER MODEL; DRUG IDENTIFICATION; DRUG SCREENING; ENZYME INHIBITION; ETHNOPHARMACOLOGY; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL; TRADITIONAL MEDICINE; VALIDATION STUDY;

EID: 77952618924     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.200900071     Document Type: Article

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