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Open access Aug 2026

Computational design and evaluation of tacrine-based carbamate derivatives as acetylcholinesterase inhibitors

Alzheimer's disease is marked by a gradual decline in cognitive function accompanied by alterations in cholinergic signaling. Cholinergic function can be improved by targeting acetylcholinesterase (AChE). In this work, an in silico approach was applied to study a series of tacrine-based carbamate derivatives. 3D-QSAR m...

Hajar El Ouarti, Abdelilah Toughzaoui, Kamal Laourdani et al. · 0 citations
Open access Sep 2026

Structure-based molecular modeling of a novel S-Remiketamine scaffold and derived arylcyclohexanone analogues: NMDA receptor dynamics, MM-GBSA ranking, and CES1-Oriented structural compatibility

These results support R2 as the strongest static NMDA docking/NMDA-preference benchmark and R14 as the most internally consistent integrated computational candidate and the most internally consistent integrated computational candidate.

A. A. A. M. M. Alkhatip, U. Raza, Ehab Farag et al. · 0 citations

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