Modeling the Energy Landscape of Side Reactions in the Cytochrome bc₁ Complex.

ABSTRACT: Much of the metabolic molecular machinery responsible for energy transduction processes in living organisms revolves around a series of electron and proton transfer processes. The highly redox active enzymes can, however, also pose a risk of unwanted side reactions leading to reactive oxygen species, which are harmful to cells and are a factor in aging and age-related diseases. Using extensive quantum and classical computational modeling, we here show evidence of a particular superoxide production mechanism through stray reactions between molecular oxygen and a semiquinone reaction intermediate bound in the mitochondrial complex III of the electron transport chain, also known as the cytochrome b c 1 complex. Free energy calculations indicate a favorable electron transfer from semiquinone

SUBMITTER: Husen P 

PROVIDER: S-EPMC8170094 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature