Structure-based pharmacophore of COX-2 selective inhibitors and identification of original lead compounds from 3D database searching method

European Journal of Medicinal Chemistry

Volumn 41, Issue 12, 2006, Pages 1446-1455

  Michaux, Catherine ^a   de Leval, Xavier ^b   Julémont, Fabien ^b   Dogné, Jean Michel ^a,b   Pirotte, Bernard ^b   Durant, François ^a  

^a UNIVERSITY OF NAMUR   (Belgium)

^b UNIVERSITY OF LIÈGE   (Belgium)

Author keywords

Catalyst HIPHOP; COX 2 selective inhibitor; Hit identification; Structure based pharmacophore; Virtual screening

Indexed keywords

AROMATIC COMPOUND; BTB 02472; BTB 09656; BTB 10079; CELECOXIB; CYCLOOXYGENASE 2 INHIBITOR; NIMESULIDE; NRB 01164; NRB 03190; ROFECOXIB; SEW 03861; SPB 04674; XBX 00122;

ARTICLE; BINDING SITE; CATALYST; CHEMICAL STRUCTURE; DATA BASE; DRUG ACTIVITY; DRUG BINDING; DRUG IDENTIFICATION; DRUG INHIBITION; DRUG POTENCY; DRUG STRUCTURE; ENZYMATIC ASSAY; HYDROGEN BOND; HYDROPHOBICITY; HYPOTHESIS; IN VITRO STUDY; PHARMACOPHORE; STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING;

BINDING SITES; CYCLOOXYGENASE 2; CYCLOOXYGENASE INHIBITORS; DATABASE MANAGEMENT SYSTEMS; HUMANS; MODELS, MOLECULAR; MOLECULAR STRUCTURE;

EID: 33845362773     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2006.07.017     Document Type: Article

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