Insight into the Inhibitory Mechanism of Aryl Formyl Piperidine Derivatives on Monoacylglycerol Lipase through Molecular Dynamics Simulations

Monoacylglycerol lipase (MAGL) can regulate the endocannabinoid system and thus becomes a target of antidepressant drugs. In this paper, molecular docking and molecular dynamics simulations, combined with binding free energy calculation, were employed to investigate the inhibitory mechanism and bind...

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Detalles Bibliográficos
Autores principales: Liu, Chang, Guan, Shanshan, E, Jingwen, Yang, Zhijie, Zhang, Xinyue, Ju, Jianan, Wang, Song, Zhang, Hao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9655140/
https://www.ncbi.nlm.nih.gov/pubmed/36364337
http://dx.doi.org/10.3390/molecules27217512

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