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Computational Design of Rasagiline Derivatives: Searching for Enhanced Antioxidant Capability
  • Miguel Reina,
  • Eduardo Guzman-Lopez,
  • Annia Galano
Miguel Reina
Instituto de Investigaciones en Materiales

Corresponding Author:[email protected]

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Eduardo Guzman-Lopez
Universidad Autonoma Metropolitana Iztapalapa Division de Ciencias Basicas e Ingenieria
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Annia Galano
Universidad Autonoma Metropolitana-Iztapalapa
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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