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Molecules ; 28(21)2023 Nov 02.
Artículo en Inglés | MEDLINE | ID: mdl-37959813

RESUMEN

We synthesized seven (Z)-benzylidene-2-(E)-styryloxazol-5(4H)-ones derivatives of cinnamic acid and evaluated the ability of these compounds to inhibit human acetylcholinesterase (hAChE). The most potent compound was evaluated for cognitive improvement in short-term memory. The seven compounds reversibly inhibited the hAChE between 51 and 75% at 300 µM, showed an affinity (Ki) from 2 to 198 µM, and an IC50 from 9 to 246 µM. Molecular docking studies revealed that all binding moieties are involved in the non-covalent interactions with hAChE for all compounds. In addition, in silico pharmacokinetic analysis was carried out to predict the compounds' blood-brain barrier (BBB) permeability. The most potent inhibitor of hAChE significantly improved cognitive impairment in a modified Y-maze test (5 µmol/kg) and an Object Recognition Test (10 µmol/kg). Our results can help the rational design of hAChE inhibitors to work as potential candidates for treating cognitive disorders.


Asunto(s)
Acetilcolinesterasa , Enfermedad de Alzheimer , Animales , Ratones , Humanos , Acetilcolinesterasa/metabolismo , Simulación del Acoplamiento Molecular , Oxazolona , Inhibidores de la Colinesterasa/química , Modelos Animales de Enfermedad , Cognición , Relación Estructura-Actividad
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