Background: Since deficit of acetylcholine has been evidenced in the Alzheimer’s disease
(AD) patients, cholinesterase inhibitors are currently the most specified drug category for the
remediation of AD.
Results: In the present study, 16 compounds (1-16) with dicarbonyl skeletons have been synthesized
and tested for their inhibitory potential in vitro against AChE and BChE using ELISA microtiter plate
assays at 100 μg/mL. Since metal accumulation is related to AD, the compounds were also tested for
their metal-chelation capacity.
Conclusion: All the investigated dicarbonyl compounds exerted none or lower than 30% inhibition
against both cholinesterases, whereas compounds 2, 8 and 11 showed 37, 42, 41% of inhibition towards
BChE, being the most active. The highest metal-chelation capacity was observed with compound 8 (53.58
± 2.06%). POM and DFT analyses are in good harmonization with experimental data.
Keywords: β-Amino dicarbonyl, cholinesterase inhibition, Alzheimer’s disease (AD), DFT calculations, Petra/ Osiris/ Molinspiration (POM) analyses.
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