ubiquinone and liproxstatin-1

Ferroptosis is a recently discovered iron-dependent form of non-apoptotic cell death caused by the accumulation of membrane lipid peroxidation products, which is involved in various pathological conditions of the brain, kidney, liver and heart. A potent spiroquinoxalinamine derivative named liproxstatin-1 is discovered by high-throughput screening, which is able to suppress ferroptosis via lipid peroxide scavenging in vivo. Thus, molecular simulations, density functional theory (DFT) and variational transition-state theory with a small-curvature tunneling (SCT) coefficient are utilized to elucidate the detailed mechanisms of inactivation of a lipid peroxide radical by liproxstatin-1. H-atom abstracted from liproxstatin-1 by a CH

Topics: Free Radicals; Iron; Kinetics; Lipid Peroxides; Molecular Dynamics Simulation; Phosphatidylcholines; Quantum Theory; Quinoxalines; Spiro Compounds; Structure-Activity Relationship; Thermodynamics; Ubiquinone