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- Title
Amino-7,8-dihydro-4H-chromenone derivatives as potential inhibitors of acetylcholinesterase and butyrylcholinesterase for Alzheimer's disease management; in vitro and in silico study.
- Authors
Asadipour, Ali; Pourshojaei, Yaghoub; Mansouri, Moein; Mahdavizadeh, Elham; Irajie, Cambyz; Mottaghipisheh, Javad; Faghih-Mirzaei, Ehsan; Mahdavi, Mohammad; Iraji, Aida
- Abstract
In this article, we present the design and synthesis of amino-7,8-dihydro-4H-chromenone derivatives as possible inhibitors of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) for the management of Alzheimer's disease (AD). The target compounds were evaluated against AChE and BChE in vitro, and 4k exhibited good potency against BChE (IC50 = 0.65 ± 0.13 µM) compared with donepezil used as a positive control. Kinetic studies revealed that compound 4k exhibited a competitive-type inhibition with a Ki value of 0.55 µM. Molecular docking and molecular dynamics simulations further supported the rationality of our design strategy, as 4k showed promising binding interactions with the active sites of BChE. Overall, our findings highlight the potential of amino-7,8-dihydro-4H-chromenone derivatives as promising candidates for developing novel therapeutics targeting cholinesterase in managing AD.
- Subjects
ALZHEIMER'S disease; ACETYLCHOLINESTERASE inhibitors; BUTYRYLCHOLINESTERASE; ACETYLCHOLINESTERASE; DISEASE management; MOLECULAR dynamics
- Publication
BMC Chemistry, 2024, Vol 18, Issue 1, p1
- ISSN
2661-801X
- Publication type
Article
- DOI
10.1186/s13065-024-01170-x