Theoretical determination of the reduction potentials of NQO2 using molecular dynamics simulations.

Abstract

Dihydronicotinamide riboside (NRH): quinone oxidoreductase (NQO2) is a cytosolic quinone reductase (QR). It catalyzes the metabolic reduction of quinones utilizing its cofactor flavin adenosine dinucleotide (FAD) as electron mediator. This study explores the reduction process of the enzyme-bound flavin using computational methods.