Biological and Computational Studies for Dual Cholinesterases Inhibitory Effect of Zerumbone.
Acetylcholinesterase
/ chemistry
Binding Sites
Butyrylcholinesterase
/ chemistry
Cholinesterase Inhibitors
/ chemistry
Enzyme Activation
/ drug effects
Humans
Kinetics
Molecular Conformation
Molecular Docking Simulation
Molecular Dynamics Simulation
Molecular Structure
Protein Binding
Sesquiterpenes
/ chemistry
Structure-Activity Relationship
ADMET
Alzheimer’s disease (AD)
cholinesterases
computational docking simulation
zerumbone
Journal
Nutrients
ISSN: 2072-6643
Titre abrégé: Nutrients
Pays: Switzerland
ID NLM: 101521595
Informations de publication
Date de publication:
25 Apr 2020
25 Apr 2020
Historique:
received:
19
03
2020
revised:
20
04
2020
accepted:
23
04
2020
entrez:
30
4
2020
pubmed:
30
4
2020
medline:
21
1
2021
Statut:
epublish
Résumé
Acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) mediate the degradation of acetylcholine (ACh), a primary neurotransmitter in the brain. Cholinergic deficiency occurs during the progression of Alzheimer's disease (AD), resulting in widespread cognitive dysfunction and decline. We evaluated the potential effect of a natural cholinesterase inhibitor, zerumbone, using in vitro target enzyme assays, as well as in silico docking and ADMET (absorption, distribution, metabolism, excretion, and toxicity) simulation. Zerumbone showed a predominant cholinesterase inhibitory property with IC
Identifiants
pubmed: 32344943
pii: nu12051215
doi: 10.3390/nu12051215
pmc: PMC7281973
pii:
doi:
Substances chimiques
Cholinesterase Inhibitors
0
Sesquiterpenes
0
zerumbone
471-05-6
Acetylcholinesterase
EC 3.1.1.7
Butyrylcholinesterase
EC 3.1.1.8
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : Dong-A University
ID : Not applicable
Déclaration de conflit d'intérêts
The authors claim no conflicts of interests.
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