Origin of the Enigmatic Stepwise Tight-Binding Inhibition of Cyclooxygenase-1

Biochemistry

Volumn 54, Issue 49, 2015, Pages 7283-7291

  Shamsudin Khan, Yasmin ^a   Kazemi, Masoud ^a   Gutiérrez De Terán, Hugo ^a   Åqvist, Johan ^a  

^a UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BINS; CONFORMATIONS; DISEASES; DRUG INTERACTIONS; DRUG PRODUCTS; ENZYMES; FREE ENERGY; MOLECULAR DYNAMICS;

CONFORMATIONAL CHANGE; CONFORMATIONAL SUBSTATES; ENZYME CONFORMATIONS; FREE ENERGY SIMULATIONS; INDUCED-FIT MECHANISM; MYOCARDIAL INFARCTION; NONSTEROIDAL ANTI-INFLAMMATORY DRUGS; STRUCTURAL DETERMINANTS;

ENZYME INHIBITION;

CYCLOOXYGENASE 1; CYCLOOXYGENASE 1 INHIBITOR; CYCLOOXYGENASE 2; PROSTAGLANDIN SYNTHASE INHIBITOR; PROTEIN BINDING; PTGS1 PROTEIN, HUMAN; PTGS2 PROTEIN, HUMAN;

ARTICLE; BINDING AFFINITY; BINDING SITE; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; ENZYME BINDING; ENZYME CONFORMATION; ENZYME INHIBITION; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SOLVATION; STATIC ELECTRICITY; TIGHT BINDING; CHEMISTRY; HUMAN; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; CYCLOOXYGENASE 1; CYCLOOXYGENASE 2; CYCLOOXYGENASE INHIBITORS; HUMANS; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING;

EID: 84949920984     PISSN: 00062960     EISSN: 15204995     Source Type: Journal    
DOI: 10.1021/acs.biochem.5b01024     Document Type: Article

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