Coordination compounds as antioxidants: activity evaluation by combining first-principle calculations and solid-state NMR

LE STUDIUM Multidisciplinary Journal, 2020, 4, 27-36

Richaud Arlette1,2, Florian Pierre1 and Méndez Francisco2


1 Le Studium Research Fellow, Loire Valley Institute for Advanced Studies, Orléans & Tours, France - CEMHTI-CNRS UPR3079, Site Haute Température CS 90055 1D avenue de la Recherche Scientifique 45071 Orléans cedex 2 – FRANCE

2 Universidad Autónoma Metropolitana, Av. San Rafael Atlixco 186. Vicentina, Iztapalapa 09340. Ciudad de México, México


Inspired by the active site of the copper-zinc superoxide dismutase enzyme, we studied the reactivity of imidazolic ligands to improve the design and synthesis of coordination compounds, active against the superoxide radical (responsible of DNA, cellular and tissues damage, leading to illness like cancer, atherosclerosis, heart failures, etc.). By the joint use of first-principle calculations and solid state NMR spectroscopy, we identified the relationship between the structural characteristics and the reactivity of the synthesized compounds, that lead and modulates their antioxidant activity. 


Solid state nuclear magnetic resonance
Structure-reactivity relationship
Antioxidant activity
Copper - zinc superoxide dismutase
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Le STUDIUM Multidisciplinary Journal