Sammanfattning

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 mu M) compared with donepezil used as a positive control. Kinetic studies revealed that compound 4k exhibited a competitive-type inhibition with a K i value of 0.55 mu M. 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.

Nyckelord

Acetylcholinesterase; Alzheimer's disease; Butyrylcholinesterase; Chromenone; Kinetic; Molecular dynamics

Publicerad i

BMC Chemistry
2024, Volym: 18, nummer: 1, artikelnummer: 70
Utgivare: BMC

SLU författare

• Mottaghipisheh, Javad

  • Institutionen för vatten och miljö, Sveriges lantbruksuniversitet
    
  • Shiraz University of Medical Science

UKÄ forskningsämne

Läkemedelskemi


Publikationens identifierare

DOI: https://doi.org/10.1186/s13065-024-01170-x

Permanent länk till denna sida (URI)

https://res.slu.se/id/publ/129351