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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Главные авторы:	Andrea Defant, Thamere Cheriet, Ines Mancini
Формат:	Artigo
Язык:	Inglês
Опубликовано:	MDPI AG 2024-11-01
Серии:	Chemistry Proceedings
Предметы:	plant metabolite pyrrolizidine alkaloid AChE inhibitor insecticidal activity molecular docking ADME/toxicity prediction
Online-ссылка:	https://www.mdpi.com/2673-4583/16/1/102
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