AP2238 was the first compound published to bind both anionic sites of the human acetylcholinesterase, allowing the simultaneous inhibition of the catalytic and the amyloid-beta pro-aggregating activities of AChE. Here we attempted to derive a comprehensive structure-activity relationship picture for this molecule, affording 28 derivatives for which AChE and BChE inhibitory activities were evaluated. Selected compounds were also tested for their ability to prevent the AChE-induced Abeta-aggregation. Moreover, docking simulations and molecular orbital calculations were performed.

Extensive SAR and computational studies of 3-{4-[(benzylmethylamino)methyl]phenyl}-6,7-dimethoxy-2H-2-chromenone (AP2238) derivatives.

PIAZZI, LORNA;CAVALLI, ANDREA;BELLUTI, FEDERICA;BISI, ALESSANDRA;GOBBI, SILVIA;BARTOLINI, MANUELA;ANDRISANO, VINCENZA;RECANATINI, MAURIZIO;RAMPA, ANGELA
2007

Abstract

AP2238 was the first compound published to bind both anionic sites of the human acetylcholinesterase, allowing the simultaneous inhibition of the catalytic and the amyloid-beta pro-aggregating activities of AChE. Here we attempted to derive a comprehensive structure-activity relationship picture for this molecule, affording 28 derivatives for which AChE and BChE inhibitory activities were evaluated. Selected compounds were also tested for their ability to prevent the AChE-induced Abeta-aggregation. Moreover, docking simulations and molecular orbital calculations were performed.
2007
Piazzi L.; Cavalli A.; Belluti F.; Bisi A.; Gobbi S.; Rizzo S.; Bartolini M.; Andrisano V.; Recanatini M.; Rampa A.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/46879
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