Discovery of highly potent microsomal prostaglandin E2 synthase 1 inhibitors using the active conformation structural model and virtual screen

Journal of Medicinal Chemistry

Volumn 56, Issue 8, 2013, Pages 3296-3309

  He, Shan ^a   Li, Cong ^a   Liu, Ying ^a   Lai, Luhua ^a  

^a PEKING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

PROSTAGLANDIN E2 SYNTHASE 1 INHIBITOR; PROSTAGLANDIN INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; CELL FREE SYSTEM; CONTROLLED STUDY; DRUG BINDING SITE; DRUG CONFORMATION; DRUG CROSS REACTIVITY; DRUG POTENCY; DRUG SCREENING; HUMAN; HUMAN CELL; IC 50; NORMAL HUMAN; PROSTAGLANDIN SYNTHESIS INHIBITION; STRUCTURE ACTIVITY RELATION;

DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; FLUORENES; GLUTATHIONE; HUMANS; INTRAMOLECULAR OXIDOREDUCTASES; MICROSOMES; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP; TRIAZINES; TRIAZOLES;

EID: 84876866180     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm301900x     Document Type: Article

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