Identification of Potent Acetylcholinesterase Inhibitors as New Candidates for Alzheimer Disease via Virtual Screening, Molecular Docking, Dynamic Simulation, and Molecular Mechanics–Poisson–Boltzmann Surface Area Calculations

Huperzine A (HUP) plays a crucial role in Alzheimer’s therapy by enhancing cognitive function through increased cholinergic activity as a reversible acetylcholinesterase (AChE) inhibitor. Despite some limitations being seen in AChE inhibitors, ongoing research remains dedicated to finding innovative...

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Detalhes bibliográficos

Principais autores:	Hind Yassmine Chennai, Salah Belaidi, Lotfi Bourougaa, Mebarka Ouassaf, Leena Sinha, Abdelouahid Samadi, Samir Chtita
Formato:	Artigo
Idioma:	Inglês
Publicado em:	MDPI AG 2024-03-01
Colecção:	Molecules
Assuntos:	Alzheimer’s disease acetylcholinesterase HUP e-pharmacophore docking ADMET
Acesso em linha:	https://www.mdpi.com/1420-3049/29/6/1232
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