5-15-dihydroperoxyeicosatetraenoic-acid and Inflammation

Chronic inflammation is now widely recognized to play important roles in many commonly occurring diseases, including COVID-19. The resolution response to this chronic inflammation is an active process governed by specialized pro-resolving mediators (SPMs) like the lipid mediators known as lipoxins. The biosynthesis of lipoxins is catalyzed by several lipoxygenases (LOXs) from arachidonic acid. However, the molecular details of the mechanisms involved are not well known yet. In this paper, we have combined molecular dynamics (MD) simulations and quantum mechanics/molecular mechanics (QM/MM) calculations to analyze how reticulocyte 15-LOX-1 catalyzes the production of lipoxins from 5(

Topics: Arachidonate 15-Lipoxygenase; Biosynthetic Pathways; Catalysis; COVID-19; Humans; Inflammation; Leukotrienes; Lipid Peroxides; Lipoxins; Models, Molecular; Molecular Docking Simulation; Molecular Dynamics Simulation; Oxygen; Quantum Theory; Reticulocytes