Are Terminal Alkynes Necessary for MAO-A/MAO-B Inhibition? A New Scaffold Is Revealed.

ABSTRACT: A versatile family of quaternary propargylamines was synthesized employing the KA² multicomponent reaction, through the single-step coupling of a number of amines, ketones, and terminal alkynes. Sustainable synthetic procedures using transition metal catalysts were employed in all cases. The inhibitory activity of these molecules was evaluated against human monoaminoxidase (hMAO)-A and hMAO-B enzymes and was found to be significant. The IC₅₀ values for hMAO-B range from 152.1 to 164.7 nM while the IC₅₀ values for hMAO-A range from 765.6 to 861.6 nM. Furthermore, these compounds comply with Lipinski's rule of five and exhibit no predicted toxicity. To understand their binding properties with the two target enzymes, key interactions were studied using molecul

SUBMITTER: Mavroeidi P 

PROVIDER: S-EPMC11174103 | biostudies-literature | 2024 May

REPOSITORIES: biostudies-literature