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Dr. Maria Grazia Perrone, Dr. Paola Vitale, Dr. Paola Malerba, Dr. Angela Altomare, Dr. Rosanna Rizzi, Prof. Antonio Lavecchia, Dr. Carmen Di Giovanni, Prof. Ettore Novellino and Prof. Antonio Scilimati Diarylheterocycle Core Ring Features Effect in Selective COX-1 Inhibition ChemMedChem 7

Version of Record online: 25 JAN 2012 | DOI: 10.1002/cmdc.201100530

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Getting to the core: The role of the central nucleus in the diarylheterocycle COX-1 inhibitor class was investigated. We identified 5-(furan-2-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole (17) as a selective inhibitor of COX-1 activity. The results of molecular docking studies shed light the binding mode of 17 into the catalytic site of COX-1.

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