Pharmacophore generation and atom-based 3D-QSAR of novel 2-(4-methylsulfonylphenyl)pyrimidines as COX-2 inhibitors

Molecular Diversity

Volumn 14, Issue 3, 2010, Pages 559-568

  Shah, Ujashkumar A ^a   Deokar, Hemantkumar S ^a   Kadam, Shivajirao S ^a   Kulkarni, Vithal M ^a  

^a BHARATI VIDYAPEETH DEEMED UNIVERSITY   (India)

Author keywords

3D QSAR; COX 2 inhibitor; Docking; Pharmacophore

Indexed keywords

2 (4 METHYLSULFONYLPHENYL)PYRIMIDINE; ARGININE; CYCLOOXYGENASE 2 INHIBITOR; HISTIDINE; PHENYLALANINE; SERINE; TYROSINE; UNCLASSIFIED DRUG; VALINE;

ARTICLE; ATOM; CORRELATIONAL STUDY; DRUG ACTIVITY; DRUG BINDING; ENZYME ACTIVE SITE; HYDROGEN BOND; HYPOTHESIS; IC 50; MOLECULAR DOCKING; MOLECULAR MODEL; PARTIAL LEAST SQUARES REGRESSION; PHARMACOPHORE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

BINDING SITES; CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITORS; HUMANS; LEAST-SQUARES ANALYSIS; LIGANDS; MODELS, MOLECULAR; PYRIMIDINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 78650177876     PISSN: 13811991     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11030-009-9183-3     Document Type: Article

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