Synthesis, Monoamine Oxidase Inhibition and Computational Analysis of Diversely Substituted N-Propargylated-1,3,5-triazines

In this work six diversely substituted N-propargylated-1,3,5-triazines have been designed, synthesized, and evaluated as monoamine oxidase (MAO) inhibitors. Very surprisingly, only 4,6-dichloro-N-(prop-2-yn-1-yl)-1,3,5-triazin-2-amine (1) showed modest, but selective MAO−B inhibition (IC=14.2 ± 0.7 μM), whose binding affinity has been investigated by computational analysis.JMC thanks MINECO (Government of Spain) (SAF2015-65586-R) for support. SA, FO and JMC thank the EU for support [COST Action “Multi-target paradigm for innovative ligand identification in the drug discovery process (MuTaLig)” (CA15137Peer Reviewe