5-Heteroatom substituted pyrazoles as canine COX-2 inhibitors. Part III: Molecular modeling studies on binding contribution of 1-(5-methylsulfonyl)pyrid-2-yl and 4-nitrile

Bioorganic and Medicinal Chemistry Letters

Volumn 17, Issue 4, 2007, Pages 1067-1072

  Sakya, Subas M ^a   Hou, Xinjun ^b   Minich, Martha L ^a   Rast, Bryson ^a   Shavnya, Andrei ^a   DeMello, Kristin M L ^a   Cheng, Hengmiao ^a   Li, Jin ^a   Jaynes, Burton H ^a   Mann, Donald W ^a   Petras, Carol F ^a   Seibel, Scott B ^a   Haven, Michelle L ^a  

^a PFIZER INC   (United States)

^b PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United States)

Author keywords

Canine; COX 1; COX 2; Cyclooxygenase; Heterocyle; Molecular modelling; Pyrazole

Indexed keywords

CARPROFEN; CELECOXIB; CYCLOOXYGENASE 1; CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITOR; DERACOXIB; KETOPROFEN; MELOXICAM; NITRILE; PYRAZOLE DERIVATIVE; PYRIDINE DERIVATIVE; SULFONE DERIVATIVE;

ARTICLE; DOG; DRUG ACTIVITY; DRUG BINDING; DRUG STRUCTURE; HYDROGEN BOND; MOLECULAR MODEL; NONHUMAN; STRUCTURE ANALYSIS;

ANIMALS; BINDING SITES; CYCLOOXYGENASE 1; CYCLOOXYGENASE 2 INHIBITORS; DOGS; DRUG DESIGN; HUMANS; HYDROGEN BONDING; INDICATORS AND REAGENTS; KINETICS; MODELS, MOLECULAR; NITRILES; PYRAZOLES; PYRIDINES; STRUCTURE-ACTIVITY RELATIONSHIP; SULFONAMIDES; SULFONES;

EID: 33846586359     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2006.11.026     Document Type: Article

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