How fast monoamine oxidases decompose adrenaline? Kinetics of isoenzymes A and B evaluated by empirical valence bond simulation

@article{Oanca2017HowFM,
  title={How fast monoamine oxidases decompose adrenaline? Kinetics of isoenzymes A and B evaluated by empirical valence bond simulation},
  author={G. Oanca and J. Stare and J. Mavri},
  journal={Proteins: Structure},
  year={2017},
  volume={85},
  pages={2170 - 2178}
}
This work scrutinizes kinetics of decomposition of adrenaline catalyzed by monoamine oxidase (MAO) A and B enzymes, a process controlling the levels of adrenaline in the central nervous system and other tissues. Experimental kinetic data for MAO A and B catalyzed decomposition of adrenaline are reported only in the form of the maximum reaction rate. Therefore, we estimated the experimental free energy barriers form the kinetic data of closely related systems using regression method, as was done… Expand
View on Wiley
ncbi.nlm.nih.gov
10 Citations
Background Citations
1
Methods Citations
2

10 Citations

Citation Type

Citation Type

How Monoamine Oxidase A Decomposes Serotonin: An Empirical Valence Bond Simulation of the Reactive Step
  • 3
Why does the Y326I mutant of monoamine oxidase B decompose an endogenous amphetamine at a slower rate than the wild type enzyme? Reaction step elucidated by multiscale molecular simulations.
  • 9
Dopamine Autoxidation Is Controlled by Acidic pH
  • 14
Hydride Abstraction as the Rate-Limiting Step of the Irreversible Inhibition of Monoamine Oxidase B by Rasagiline and Selegiline: A Computational Empirical Valence Bond Study
  • 2
  • PDF
Quantum chemical (QM:MM) investigation of the mechanism of enzymatic reaction of tryptamine and N,N-dimethyltryptamine with monoamine oxidase A.
Nuclear quantum effects in enzymatic reactions: simulation of the kinetic isotope effect of phenylethylamine oxidation catalyzed by monoamine oxidase A.
  • 3
Monoamine oxidase‐B inhibitors as potential neurotherapeutic agents: An overview and update
  • 16
Adrenaline induces calcium signal in astrocytes and vasoconstriction via activation of monoamine oxidase.
  • 2
Combined computational and experimental studies on cysteine-sulfadiazine adduct formation
  • 1
  • PDF
Homology modeling of human GABA-AT and devise some novel and potent inhibitors via computer-aided drug design techniques.
  • 4

References

SHOWING 1-10 OF 63 REFERENCES
Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine
  • 41
  • PDF
Empirical Valence Bond Simulations of the Hydride-Transfer Step in the Monoamine Oxidase A Catalyzed Metabolism of Noradrenaline.
  • 31
Multiscale simulation of monoamine oxidase catalyzed decomposition of phenylethylamine analogs
  • 13
  • PDF
Reaction mechanism of monoamine oxidase from QM/MM calculations.
  • 49
Revealing Monoamine Oxidase B Catalytic Mechanisms by Means of the Quantum Chemical Cluster Approach
  • 25
How are Biogenic Amines Metabolized by Monoamine Oxidases
  • 64
  • Highly Influential
  • PDF
Examining electrostatic preorganization in monoamine oxidases A and B by structural comparison and pKa calculations.
  • 36
Structure-activity relations in the oxidation of phenethylamine analogues by recombinant human liver monoamine oxidase A.
  • 49
Influence of the environment on the oxidative deamination of p-substituted benzylamines in monoamine oxidase.
  • 18
²H kinetic isotope effects and pH dependence of catalysis as mechanistic probes of rat monoamine oxidase A: comparisons with the human enzyme.
  • 30
...
1
2
3
4
5
...