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Encapsulation of dopamine within SU-101: insights by computational chemistry.

Erika MedelJuan L ObesoCamilo Serrano-FuentesJorge GarzaIlich A IbarraCarolina LeyvaA Ken IngeAna MartínezRubicelia Vargas
Published in: Chemical communications (Cambridge, England) (2023)
Encapsulating and protecting dopamine from oxidation is a difficult challenge. We propose to use SU-101 BioMOF as a dopamine host, where we study different adsorption scenarios by a robust computational approach. Our results show that dopamine encapsulation is feasible with the formation of non-covalent interactions within the SU-101 pores. These computational results have been corroborated experimentally.
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