With the aim of obtaining compounds possessing high SERT selectivity, in the present work we synthesized and studied the inhibition of serotonin (SERT), dopamine (DAT) and norepinephrine (NET) transporters by docking studies and experimental binding measurements of a series of 4-(aryl)piperidin-3-one O-4-benzyl oxime hydrochlorides (1-10) of both E and Z configuration. E configuration compounds showed high SERT binding affinities (K(i) = 10-98 nM) and high SERT selectivities over both NET and DAT. The molecular docking studies allowed a rationalization of the molecular basis of drug-SERT interactions both of the synthesized compounds and paroxetine and fluoxetine used as reference antidepressant drugs.
Autori interni: | |
Autori: | NENCETTI SUSANNA; MAZZONI MARIA R; ORTORE GABRIELLA; LAPUCCI ANNALINA; GIUNTINI JANETTE; ORLANDINI ELISABETTA; BANTI IRENE; NUTI ELISA; LUCACCHINI ANTONIO; GIANNACCINI GINO; ROSSELLO A |
Titolo: | Synthesis, molecular docking and binding studies of selective serotonin transporter inhibitors |
Anno del prodotto: | 2011 |
Digital Object Identifier (DOI): | 10.1016/j.ejmech.2010.12.018 |
Appare nelle tipologie: | 1.1 Articolo in rivista |