In Silico and In Vitro Methods in the Characterization of Beta-Carotene as Pharmaceutical Material via Acetylcholine Esterase Inhibitory Actions.
Alzheimer’s disease
acid phosphatase
galatamine
neurovascular disorders
rivastigmine
vascular dementia
zebrafish embryo toxicity test
Journal
Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009
Informations de publication
Date de publication:
26 May 2023
26 May 2023
Historique:
received:
03
05
2023
revised:
17
05
2023
accepted:
24
05
2023
medline:
12
6
2023
pubmed:
10
6
2023
entrez:
10
6
2023
Statut:
epublish
Résumé
Molecular docking is widely used in the assessment of the therapeutic potential of pharmaceutical agents. The binding properties of beta-carotene (BC) to acetylcholine esterase (AChE) proteins were characterized using the molecular docking method. The mechanism of AChE inhibition was assessed by an experimental in vitro kinetic study. In addition, the role of BC action was tested by the zebrafish embryo toxicity test (ZFET). The results of the docking ability of BC to AChE showed significant ligand binding mode. The kinetic parameter, i.e., the low AICc value shown as the compound was the competitive type of inhibition of AChE. Further, BC also showed mild toxicity at a higher dose (2200 mg/L) in ZFET assessment with changes in biomarkers. The LC
Identifiants
pubmed: 37298835
pii: molecules28114358
doi: 10.3390/molecules28114358
pmc: PMC10254434
pii:
doi:
Substances chimiques
Cholinesterase Inhibitors
0
Acetylcholine
N9YNS0M02X
beta Carotene
01YAE03M7J
Acetylcholinesterase
EC 3.1.1.7
Pharmaceutical Preparations
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : Malaysian Ministry of Education through the Fundamental Research Grant Scheme,
ID : FRGS/1/2019/SKK08/AIMST/02/3
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