Abstract
A set of new rasagiline derivatives is presented. They were designed to
be antioxidant compounds with the potential to be used for treating
neurodegenerative disorders. They are expected to be multifunctional
molecules that can help reduce oxidative stress, which is thought to
contribute to neurodegenerative disorders. The CADMA-Chem computational
protocol was used to produce rasagiline derivatives and to evaluate
their likeliness as oral drugs and antioxidants. Three of them were
identified as the most promising ones. They are proposed to be better
free radical scavengers than rasagiline. In addition, they are expected
to keep the parent’s molecule neuroprotective capability. Hopefully, the
results presented here would promote further experimental and
theoretical investigations on these compounds.
Keywords : rasagiline; 1-(R)-aminoindan; DFT; ADME;
computer-aided design, free radical scavenger, oxidative stress;
toxicity; synthetic accessibility.