Following our previous research on anti-inflammatory drugs (NSAIDs), we report here the synthesis of chiral 1,5-diarylpyrroles derivatives that were characterized for their in vitro inhibitory effects toward cyclooxygenase (COX) isozymes. Analysis of enzymatic affinity and COX-2 selectivity led us to the selection of one compound (+/-)-10b that was further tested in vitro in the human whole blood (HWB) and in vivo for its anti-inflammatory activity in mice. The affinity data have been rationalized through docking simulations.
Synthesis, in vitro, and in vivo biological evaluation and molecular docking simulations of chiral alcohol and ether derivatives of the 1,5-diarylpyrrole scaffold as novel anti-inflammatory and analgesic agents / Biava, M.; Porretta, G. C.; Poce, G.; Supino, S.; Manetti, F.; Forli, .; Botta, M.; Sautebin, Lidia; Rossi, Antonietta; Pergola, C.; Ghelardini, C.; Norcini, M.; Makovec, F.; Giordani, A.; Anzellotti, P.; Cirilli, R.; Ferretti, R.; Gallinella, B.; LA TORRE, F.; Anzini, M.; Patrignani, P.. - In: BIOORGANIC & MEDICINAL CHEMISTRY. - ISSN 0968-0896. - STAMPA. - 16:17(2008), pp. 8072-8081. [10.1016/j.bmc.2008.07.058]
Synthesis, in vitro, and in vivo biological evaluation and molecular docking simulations of chiral alcohol and ether derivatives of the 1,5-diarylpyrrole scaffold as novel anti-inflammatory and analgesic agents.
SAUTEBIN, LIDIA;ROSSI, ANTONIETTA;
2008
Abstract
Following our previous research on anti-inflammatory drugs (NSAIDs), we report here the synthesis of chiral 1,5-diarylpyrroles derivatives that were characterized for their in vitro inhibitory effects toward cyclooxygenase (COX) isozymes. Analysis of enzymatic affinity and COX-2 selectivity led us to the selection of one compound (+/-)-10b that was further tested in vitro in the human whole blood (HWB) and in vivo for its anti-inflammatory activity in mice. The affinity data have been rationalized through docking simulations.| File | Dimensione | Formato | |
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