Molecular Dynamics Revealing a Detour-Forward Release Mechanism of Tacrine: Implication for the Specific Binding Characteristics in Butyrylcholinesterase

Butyrylcholinesterase (BChE) is a non-specific enzyme with clinical pharmacological and toxicological significance, which was a renewed interest as therapeutic target in Alzheimer's disease (AD) nowadays. Here, all-atom molecular dynamics simulations of butyrylcholinesterase with tacrine comple...

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Detalles Bibliográficos
Autores principales: Zhang, Zhiyang, Fan, Fangfang, Luo, Wen, Zhao, Yuan, Wang, Chaojie
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7477934/
https://www.ncbi.nlm.nih.gov/pubmed/33195011
http://dx.doi.org/10.3389/fchem.2020.00730

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7477934/
https://www.ncbi.nlm.nih.gov/pubmed/33195011
http://dx.doi.org/10.3389/fchem.2020.00730

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