Chalcone Scaffolds Exhibiting Acetylcholinesterase Enzyme Inhibition: Mechanistic and Computational Investigations

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 (<b>C1</b>–<b>C5</b>) were synthesized and their in vitro A...

Πλήρης περιγραφή

Λεπτομέρειες βιβλιογραφικής εγγραφής
Κύριοι συγγραφείς: Yossra A. Malik, Talal Ahmed Awad, Mohnad Abdalla, Sakina Yagi, Hassan A. Alhazmi, Waquar Ahsan, Mohammed Albratty, Asim Najmi, Shabbir Muhammad, Asaad Khalid
Μορφή: Άρθρο
Γλώσσα:English
Έκδοση: MDPI AG 2022-05-01
Σειρά:Molecules
Θέματα:
acetylcholinesterase inhibitors
chalcones
molecular docking
mechanistic
molecular dynamics simulations
in silico
Διαθέσιμο Online:https://www.mdpi.com/1420-3049/27/10/3181

Διαδίκτυο

https://www.mdpi.com/1420-3049/27/10/3181

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