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  3. 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

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

  • Bioorg Med Chem. 2008 Sep 1;16(17):8072-81. doi: 10.1016/j.bmc.2008.07.058.
Mariangela Biava 1,  Giulio C Porretta,  Giovanna Poce,  Sibilla Supino,  Fabrizio Manetti,  Stefano Forli,  Maurizio Botta,  Lidia Sautebin,  Antonietta Rossi,  Carlo Pergola,  Carla Ghelardini,  Monica Norcini,  Francesco Makovec,  Antonio Giordani,  Paola Anzellotti,  Roberto Cirilli,  Rosella Ferretti,  Bruno Gallinella,  Francesco La Torre,  Maurizio Anzini,  Paola Patrignani
Affiliations

Affiliation

  • 1 Dipartimento di Studi di Chimica e Tecnologie del Farmaco, Università La Sapienza, Piazzale Aldo Moro, 5, I-00185 Roma, Italy.
PMID: 18752957 DOI: 10.1016/j.bmc.2008.07.058
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.

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