Chalcone Scaffolds Exhibiting Acetylcholinesterase Enzyme Inhibition: Mechanistic and Computational Investigations

This study was aimed to perform the mechanistic investigations of chalcone scaffold as inhibitors of acetylcholinesterase (AChE) enzyme using molecular docking and molecular dynamics simulation tools. Basic chalcones (C1–C5) were synthesized and their in vitro AChE inhibition was tested. Binding int...

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Detalles Bibliográficos
Autores principales: Malik, Yossra A., Awad, Talal Ahmed, Abdalla, Mohnad, Yagi, Sakina, Alhazmi, Hassan A., Ahsan, Waquar, Albratty, Mohammed, Najmi, Asim, Muhammad, Shabbir, Khalid, Asaad
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9145706/
https://www.ncbi.nlm.nih.gov/pubmed/35630658
http://dx.doi.org/10.3390/molecules27103181

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9145706/
https://www.ncbi.nlm.nih.gov/pubmed/35630658
http://dx.doi.org/10.3390/molecules27103181

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