Výsledky vyhledávání - "Francesca Maglia"

Mechanism of action in a 4,5-diarylpyrrole series of selective cyclo-oxygenase-2 inhibitors

Autor: René V. Bensasson, Vincent Zoete, Francesca Maglia, Michel Rougee

Publikováno v: Free Radical Biology and Medicine. 28:1638-1641

Using semi-empirical AM1 calculation and 6.31G∗ basis sets, we have calculated the energy of the highest-occupied molecular orbital (E HOMO ) for anti-inflammatory 4,5-diarylpyrroles which have been shown to have inhibitory activity on cyclooxygena

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::409c7296170475bed2451beddbfe0a79
https://doi.org/10.1016/s0891-5849(00)00278-1

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Molecular orbital theory applied to the study of nonsteroidal anti-inflammatory drug efficiency

Autor: Francesca Maglia, René V. Bensasson, M Rougee, Fabrice Bailly, Vincent Zoete

Publikováno v: Free Radical Biology and Medicine. 26:1261-1266

Using a simple quantum mechanical method, we calculated the energy of the highest-occupied molecular orbital (E(HOMO)) of three groups of anti-inflammatory compounds, and we have found correlations between E(HOMO) of these molecules and experimental

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ac0f2952df93508fd631e1ceef02c8e0
https://doi.org/10.1016/s0891-5849(98)00324-4

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