title: 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.
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.
authors.affiliation: Dipartimento di Studi di Chimica e Tecnologie del Farmaco, Università La Sapienza, Piazzale Aldo Moro, 5, I-00185 Roma, Italy.
authors.forename: Mariangela
authors.initials: M
authors.lastname: Biava
authors.forename: Giulio C
authors.initials: GC
authors.lastname: Porretta
authors.forename: Giovanna
authors.initials: G
authors.lastname: Poce
authors.forename: Sibilla
authors.initials: S
authors.lastname: Supino
authors.forename: Fabrizio
authors.initials: F
authors.lastname: Manetti
authors.forename: Stefano
authors.initials: S
authors.lastname: Forli
authors.forename: Maurizio
authors.initials: M
authors.lastname: Botta
authors.forename: Lidia
authors.initials: L
authors.lastname: Sautebin
authors.forename: Antonietta
authors.initials: A
authors.lastname: Rossi
authors.forename: Carlo
authors.initials: C
authors.lastname: Pergola
authors.forename: Carla
authors.initials: C
authors.lastname: Ghelardini
authors.forename: Monica
authors.initials: M
authors.lastname: Norcini
authors.forename: Francesco
authors.initials: F
authors.lastname: Makovec
authors.forename: Antonio
authors.initials: A
authors.lastname: Giordani
authors.forename: Paola
authors.initials: P
authors.lastname: Anzellotti
authors.forename: Roberto
authors.initials: R
authors.lastname: Cirilli
authors.forename: Rosella
authors.initials: R
authors.lastname: Ferretti
authors.forename: Bruno
authors.initials: B
authors.lastname: Gallinella
authors.forename: Francesco
authors.initials: F
authors.lastname: La Torre
authors.forename: Maurizio
authors.initials: M
authors.lastname: Anzini
authors.forename: Paola
authors.initials: P
authors.lastname: Patrignani