Isoindolinedione-Benzamide Pyridinium Derivatives for Targeting Alzheimer's Disease.

ABSTRACT: An Isoindolinedione-benzamide pyridinium derivatives were designed through a structure-based strategy and synthesized as novel multifunctional anti-Alzheimer agents. The inhibitory activities of all 17 derivatives against acetylcholinesterase and butyrylcholinesterase were evaluated. Results exhibited that compound 7j displayed promising AChE inhibitory activity with an IC₅₀ value of 0.26 ± 0.07 μM, and compound 7c exhibited an IC₅₀ value of 0.08 ± 0.01 μM against BChE with 132-fold better inhibitory activity in comparison with positive control. Next, the enzyme kinetics studies and detailed binding mode via molecular docking were performed for the most potent compounds. Additionally, molecular dynamics simulations were accomplished to further investigat

SUBMITTER: Noori M 

PROVIDER: S-EPMC11635510 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature