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Acetylcholinesterase as a Target for Heliotridine-Type Alkaloids Isolated from Plants: A Computational Study

The enzyme acetylcholinesterase (AChE) acts in mammalians and insects. Its inhibitors are considered to treat human disease and to develop insecticides. Docking calculations were performed by using AutoDock Vina and Protein–Ligand ANTSystem (PLANTS) on the <i>Torpedo californica</i> AChE complexes o...

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Principais autores: Andrea Defant, Thamere Cheriet, Ines Mancini
Format: Artigo
Sprog:Inglês
Udgivet: MDPI AG 2024-11-01
Serier:Chemistry Proceedings
Fag:
plant metabolite
pyrrolizidine alkaloid
AChE inhibitor
insecticidal activity
molecular docking
ADME/toxicity prediction
Online adgang:https://www.mdpi.com/2673-4583/16/1/102
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