Kinetics and computational study of butyrylcholinesterase inhibition by methylrosmarinate: relevance to Alzheimer's disease treatment.
Butyrylcholinesterase
Enzyme inhibition
Enzyme kinetics
Methylrosmarinate
Molecular docking
Journal
Heliyon
ISSN: 2405-8440
Titre abrégé: Heliyon
Pays: England
ID NLM: 101672560
Informations de publication
Date de publication:
Sep 2022
Sep 2022
Historique:
received:
03
01
2022
revised:
24
01
2022
accepted:
07
09
2022
entrez:
23
9
2022
pubmed:
24
9
2022
medline:
24
9
2022
Statut:
epublish
Résumé
Butyrylcholinesterase (BChE) performs a significant function in Alzheimer's disease progression. Experimental studies have shown that the function of BChE in the attenuation of cholinergic neurotransmission is essentially altered in brains of advanced AD patients. Here, using the complimentary methods of enzyme kinetic studies, molecular modeling and protein-ligand interaction profiling, we sought to reveal the mechanistic and structural features of BChE-methyrosmarinate interactions. Molecular docking simulations revealed that methylrosmarinate dwelled well in the active centre of BChE, where it got involved in stabilizing non-covalent associations with myriad subsites. Enzyme kinetic experiments showed that the
Identifiants
pubmed: 36148271
doi: 10.1016/j.heliyon.2022.e10613
pii: S2405-8440(22)01901-6
pmc: PMC9485033
doi:
Types de publication
Journal Article
Langues
eng
Pagination
e10613Informations de copyright
© 2022 The Author(s).
Déclaration de conflit d'intérêts
The authors declare no conflict of interest.
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