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Quantum chemical (QM:MM) investigation of the mechanism of enzymatic reaction of tryptamine and <i>N</i> , <i>N</i> -dimethyltryptamine with monoamine oxidase A
104/104 checkable references clean · checked 2026-07-23
Every reference with a DOI in the deposited reference list resolved to a known work in Crossref or DataCite at the dated check, and none carried a retraction, withdrawal, or removal notice.
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The 104 checked references that resolve
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resolves10.1073/pnas.0505975102
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Do MAO A and MAO B utilize the same mechanism for the C–H bond cleavage step in catalysis? Evidence suggesting differing mechanisms
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A comparative computational investigation on the proton and hydride transfer mechanisms of monoamine oxidase using model molecules
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Evidence for a hydrogen atom transfer mechanism or a fast proton/electron transfer mechanism for monoamine oxidase
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Evidence against a Nucleophilic Mechanism for Monoamine Oxidase-Catalyzed Amine Oxidation
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Computational modeling of the direct hydride transfer mechanism for the MAO catalyzed oxidation of phenethylamine and benzylamine: ONIOM (QM/QM) calculations
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How fast monoamine oxidases decompose adrenaline? Kinetics of isoenzymes A and B evaluated by empirical valence bond simulation
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ONIOM calculations on serotonin degradation by monoamine oxidase B: insight into the oxidation mechanism and covalent reversible inhibition
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Empirical Valence Bond Simulations of the Hydride-Transfer Step in the Monoamine Oxidase A Catalyzed Metabolism of Noradrenaline
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Mechanistic probes of monoamine oxidase B catalysis: Rapid-scan stopped flow and magnetic field independence of the reductive half-reaction
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Insights into the Mechanism of Flavoprotein-Catalyzed Amine Oxidation from Nitrogen Isotope Effects on the Reaction of <i>N-</i>Methyltryptophan Oxidase
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First-Principles Molecular Dynamics Investigation of the <scp>d</scp>-Amino Acid Oxidative Half-Reaction Catalyzed by the Flavoenzyme <scp>d</scp>-Amino Acid Oxidase<sup>,</sup>
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Examining Electrostatic Preorganization in Monoamine Oxidases A and B by Structural Comparison and p<i>K</i><sub>a</sub>Calculations
resolves10.1002/prot.24690
Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine
resolves10.1021/acs.jcim.5b00140
Revealing Monoamine Oxidase B Catalytic Mechanisms by Means of the Quantum Chemical Cluster Approach
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Nuclear quantum effects in enzymatic reactions: simulation of the kinetic isotope effect of phenylethylamine oxidation catalyzed by monoamine oxidase A
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The oxidation of tryptamine by the two forms of monoamine oxidase in human tissues
resolves10.1021/bi00060a003
Substrate-specific enhancement of the oxidative half-reaction of monoamine oxidase
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Enzymatic oxidation of substituted tryptamines catalysed by monoamine oxidase
resolves10.1080/10256016.2013.839558
Isotope effects in the enzymatic oxidation of tryptamine to 3-indolyl-acetaldehyde
resolves10.1073/pnas.0710626105
Structure of human monoamine oxidase A at 2.2-Å resolution: The control of opening the entry for substrates/inhibitors
resolves10.1016/S0166-1280(98)00475-8
A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives
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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
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Density Functional Theory for Reaction Energies: Test of Meta and Hybrid Meta Functionals, Range-Separated Functionals, and Other High-Performance Functionals
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Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints
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Computational Study of the p<i>K</i><sub>a</sub>Values of Potential Catalytic Residues in the Active Site of Monoamine Oxidase B
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Variations in activity and inhibition with pH: the protonated amine is the substrate for monoamine oxidase, but uncharged inhibitors bind better
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Studies on the Mechanism of Action of Monoamine Oxidase: Metabolism of N,N-Dimethyltryptamine and N,N-Dimethyltryptamine-N-Oxide
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