Computational Design of Rasagiline Derivatives: Searching for Enhanced
Antioxidant Capability
- Miguel Reina,
- Eduardo Guzman-Lopez,
- Annia Galano
Eduardo Guzman-Lopez
Universidad Autonoma Metropolitana Iztapalapa Division de Ciencias Basicas e Ingenieria
Author ProfileAnnia Galano
Universidad Autonoma Metropolitana-Iztapalapa
Author ProfileAbstract
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.29 Jun 2022Submitted to International Journal of Quantum Chemistry 01 Jul 2022Submission Checks Completed
01 Jul 2022Assigned to Editor
01 Jul 2022Reviewer(s) Assigned
25 Jul 2022Review(s) Completed, Editorial Evaluation Pending
25 Jul 2022Editorial Decision: Revise Minor
16 Aug 20221st Revision Received
19 Aug 2022Submission Checks Completed
19 Aug 2022Assigned to Editor
19 Aug 2022Reviewer(s) Assigned
19 Aug 2022Review(s) Completed, Editorial Evaluation Pending
19 Aug 2022Editorial Decision: Accept
06 Sep 2022Published in International Journal of Quantum Chemistry. 10.1002/qua.27011