Structure-based parallel medicinal chemistry approach to improve metabolic stability of benzopyran COX-2 inhibitors

Bioorganic and Medicinal Chemistry Letters

Volumn 21, Issue 3, 2011, Pages 993-996

  Xing, Li ^a   Hamper, Bruce C ^a   Fletcher, Theresa R ^a   Wendling, Jay M ^a   Carter, Jeffery ^a   Gierse, James K ^a   Liao, Subo ^a,b  

^a PFIZER INC   (United States)

^b MEDTRONIC INC   (United States)

Author keywords

Benzopyran; Computer assisted molecular modeling; COX 2 inhibitor; Cyclooxygenase; Free energy perturbation; Metabolic stability; Parallel solid phase synthesis; Structure activity relationship; Structure based design

Indexed keywords

BENZOPYRAN DERIVATIVE; CELECOXIB; CYCLOOXYGENASE 1; CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITOR; SD 8381; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; DRUG DESIGN; DRUG METABOLISM; DRUG POTENCY; DRUG PROTEIN BINDING; DRUG SELECTIVITY; DRUG SYNTHESIS; ENERGY; HUMAN; LIPOPHILICITY; NONHUMAN; RAT; STRUCTURE ACTIVITY RELATION; THEORETICAL STUDY;

ANIMALS; BENZOPYRANS; CHEMISTRY, PHARMACEUTICAL; CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITORS; HUMANS; MICROSOMES; PROTEIN BINDING; RATS; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 78751644090     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2010.12.023     Document Type: Article

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