Design of new selective inhibitors of cyclooxygenase-2 by dynamic assembly of molecular building blocks

Journal of Computer-Aided Molecular Design

Volumn 15, Issue 5, 2001, Pages 447-463

  Zhu, Jiang ^a   Yu, Haibo ^a   Fan, Hao ^a   Liu, Haiyan ^a   Shi, Yunyu ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

Clustering algorithm; Cyclooxygenase; De novo structure based drug design; Molecular similarity; Multiple copy; Stochastic dynamics

Indexed keywords

ARCHITECTURAL DESIGN; BINDING ENERGY; STOCHASTIC MODELS; STOCHASTIC SYSTEMS;

CYCLOOXYGENASE 2; CYCLOOXYGENASES; DE NOVO STRUCTURE-BASED DRUG DESIGN; DYNAMIC ASSEMBLY; MOLECULAR BUILDING BLOCKS; MOLECULAR SIMILARITY; MULTIPLE COPY; SELECTIVE INHIBITORS; STOCHASTIC DYNAMICS; STRUCTURE BASED DRUG DESIGNS;

CLUSTERING ALGORITHMS;

4 [5 (4 BROMOPHENYL) 3 TRIFLUOROMETHYL 1H PYRAZOL 1 YL]BENZENESULFONAMIDE; CYCLOOXYGENASE 2 INHIBITOR; ENZYME; FLURBIPROFEN; INDOMETACIN; SC 58076; SC 58092; SOLVENT; THIAZOLE DERIVATIVE; UNCLASSIFIED DRUG;

ACCURACY; ALGORITHM; ARTICLE; CLUSTER ANALYSIS; CONTROLLED STUDY; DRUG BINDING; DRUG CLASSIFICATION; DRUG DESIGN; DRUG SELECTIVITY; DRUG STRUCTURE; ENERGY; ENZYME ACTIVE SITE; PRIORITY JOURNAL; SCREENING;

EID: 0035003876     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1011114307711     Document Type: Article

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