Inhibitory mode of 1,5-diarylpyrazole derivatives against cyclooxygenase-2 and cyclooxygenase-1: Molecular docking and 3D QSAR analyses

Journal of Medicinal Chemistry

Volumn 45, Issue 22, 2002, Pages 4816-4827

  Liu, Hong ^a   Huang, Xiaoqin ^a   Shen, Jianhua ^a   Luo, Xiaomin ^a   Li, Minghui ^a   Xiong, Bing ^a   Chen, Gang ^a   Shen, Jingkang ^a   Yang, Yimin ^a   Jiang, Hualiang ^a   Chen, Kaixian ^a  

^a SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

4 [5 (4 BROMOPHENYL) 3 TRIFLUOROMETHYL 1H PYRAZOL 1 YL]BENZENESULFONAMIDE; CYCLOOXYGENASE 1; CYCLOOXYGENASE 2; PYRAZOLE DERIVATIVE;

ALGORITHM; ARTICLE; COMPLEX FORMATION; DRUG ACTIVITY; DRUG BINDING; DRUG CONFORMATION; DRUG STRUCTURE; DRUG SYNTHESIS; ENERGY; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME BINDING; ENZYME INHIBITION; GEOMETRY; HYDROGEN BOND; MOLECULAR DYNAMICS; PROTEIN INTERACTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ALGORITHMS; BINDING SITES; CYCLOOXYGENASE 1; CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITORS; CYCLOOXYGENASE INHIBITORS; HYDROGEN BONDING; ISOENZYMES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES; PYRAZOLES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 0037168053     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm020089e     Document Type: Article

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