BioMed Research International · 2013 · 69 citations · 20 references
Novel mechanism of antioxidant activity of buckminsterfullerene C₆₀ based on protons absorbing and mild uncoupling of mitochondrial respiration and phosphorylation was postulated. In the present study we confirm this hypothesis using computer modeling based on Density Functional Theory. Fullerene's geroprotective activity is sufficiently higher than those of the most powerful reactive oxygen species scavengers. We propose here that C₆₀ has an ability to acquire positive charge by absorbing inside several protons and this complex could penetrate into mitochondria. Such a process allows for mild uncoupling of respiration and phosphorylation. This, in turn, leads to the decrease in ROS production.
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G. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2001 · 9.9K citations
Engineering, Chemical Analysis, Theoretical Inorganic Chemistry +17
Célia Fonseca Guerra, Jan‐Willem Handgraaf, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2003 · 1.2K citations
Engineering, Voronoi Deformation Density, Computational Chemistry +17