Browsing by Subject "Oxidoreductases"
Now showing items 1-8 of 8
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Computing Redox Potentials of Type-1 Copper Sites Using Combined Quantum Mechanical/Molecular Mechanical Method
(2012-04)Type-1 copper proteins, commonly known as blue-copper proteins, represent an important class of oxidoreductases, where the redox active moiety is a copper ion bound in a nitrogen-sulfur donor environment. These proteins ... -
Computing Redox Potentials of Type-1 Copper Sites Using Combined Quantum Mechanical/Molecular Mechanical Method
(2013-05)Type-1 copper centers belong to the family of metal-containing oxidoreductases, where the redox active moiety is a copper ion bound in a nitrogen-sulfur donor environment. These metallosites, commonly known as blue-copper ... -
Deep Docking of Small Molecule Inhibitors of Quinone Oxidoreductase – A Toxifying Enzyme Causing Neurodegeneration in Alzheimer’s Disease Patients
(2022-04)N-ribosyldihydronicotinamide:quinone oxidoreductase 2 (QR2) is a cytosolic enzyme that functions to reduce quinones into hydroquinones through a flavin adenine dinucleotide -mediated two-electron reduction. QR2 can also ... -
Effect of Aromatic Interactions on Flavin's Redox Potential : a Theoretical Study
(2010-04)Flavins, substituted isoalloxazines, are redox active cofactors ubiquitous among oxidoreductases that catalyze diverse chemical reactions. They also exhibit photoinduced electron transfers and have great potentials as ... -
Energetics of Hydride Transfer Reactions in Quinone Reductase 2
(2012-04)Quinone Reductases belong to the class of flavin-dependent oxidoreductases. With its redox active cofactor flavin adenine dinucleotide (FAD), quinone reductases are known to utilize a ping pong kinetic mechanism during ... -
Exploring Electron Transfer-Induced Conformational Changes in NRH:quinone Oxidoreductase.
(2009-04)NRH:quinone oxidoreductase is a flavoenzyme that catalyzes the one-step reduction of quinones to hydroquinones using its cofactor, FAD. The enzyme kinetics goes through a "ping-pong" mechanism, in which changes in the ... -
Towards Development of a Computational Screening Tool for Quinone Oxidoreductase Inhibitors
(2019-05)NAD(P)H:quinone oxidoreductase 1 (NQO1) and its paralog NRH:quinone oxidoreductase 2 (NQO2) function by reducing quinones into hydroquinones via a two-electron reduction, which is mediated by the cofactor flavin adenine ...