Computational design of rasagiline derivatives: Searching for enhanced antioxidant capability
Por:
Reina M., Guzmán-López E.G., Galano A.
Publicada:
1 ene 2023
Resumen:
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. © 2022 Wiley Periodicals LLC.
Filiaciones:
Reina M.:
Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Mexico, Mexico
Departamento de Química Inorgánica y Nuclear, Facultad de Química, Universidad Nacional Autónoma de México, México, Mexico
Guzmán-López E.G.:
Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Mexico, Mexico
Galano A.:
Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Mexico, Mexico
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