Targeting neuronal calcium channels and GSK3β for Alzheimer’s disease with naturally-inspired Diels-Alder adducts

Alessandra Bisi,Alessandra Feoli,Alfonso Trezza,Lucia Viejo,Francesco Formaggio,Manuela Bartolini,Federica Belluti,Silvia Gobbi,Ottavia Spiga,Marco Caprini,Cristobal de Los Rios,Sabrina Castellano,Angela Rampa

Bioorganic Chemistry（2022）

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摘要

•A molecular simplification plan led to new compounds via Diels-Alder cycloaddition.•Some derivatives acted as L/N type calcium channels blockers or GSK-3β modulators.•10 emerged as promising, safe and BBB-penetrating Cav modulator.•11 could be considered as a promising multitarget prototype.

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关键词

Diels-Alder adducts,Ca2+ channels,GSK-3β,Alzheimer’s disease,Docking simulation,Molecular dynamics simulation

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