Mechanism of Melatonin Metabolism by CYP1A1: What Determines the Bifurcation Pathways of Hydroxylation versus Deformylation?
Thirakorn Mokkawes, Ze Qing Lim, Sam P. de Visser
Abstract
-aromatic ring position shielded. Finally, we investigated enzymatic and non-enzymatic O-demethylation processes and show that the hydrogen bonding network in the substrate-binding pocket can assist and perform this step prior to product release from the enzyme.
Topics & Concepts
HydroxylationChemistryMelatoninActive siteCytochrome P450Substrate (aquarium)HemeMonooxygenaseOxygenaseStereochemistryMolecular dynamicsBiophysicsEnzymeCatalytic cycleMetabolismBiochemistryComputational chemistryBiologyEcologyNeuroscienceMetal-Catalyzed Oxygenation MechanismsPharmacogenetics and Drug MetabolismFree Radicals and Antioxidants