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Molecular Dynamics Simulations of Arachidonic Acid-Derived Pentadienyl Radical Intermediate Complexes with COX-1 and COX-2: Insights into Oxygenation Regio- and Stereoselectivity

The two cyclooxygenase enzymes, COX-1 and COX-2, are responsible for the committed step in prostaglandin biosynthesis, and are the targets of the non-steroidal anti-inflammatory drugs aspirin, ibuprofen and the COX-2 selective inhibitors, Celebrex™, Vioxx™ and Bextra™. The enzymes are remarkable in...

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Detalhes bibliográficos
Main Authors: Furse, Kristina E., Pratt, Derek A., Schneider, Claus, Brash, Alan R., Porter, Ned A., Lybrand, Terry P.
Formato: Artigo
Idioma:Inglês
Publicado em: 2006
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2504531/
https://ncbi.nlm.nih.gov/pubmed/16519515
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/bi052338h
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