How Monoamine Oxidase A Decomposes Serotonin: An Empirical Valence Bond Simulation of the Reactive Step

Alja Prah; Miha Purg; Jernej Stare; Robert Vianello; Janez Mavri

doi:10.1021/acs.jpcb.0c06502

August 26, 2020The Journal of Physical Chemistry BOpen Access

How Monoamine Oxidase A Decomposes Serotonin: An Empirical Valence Bond Simulation of the Reactive Step

View Full Paper

Ask AI

Bookmark

Share

Key Points

To elucidate the reactive step and catalytic mechanism governing the enzymatic decomposition of serotonin by monoamine oxidase A.
Applied empirical valence bond (EVB) molecular simulations to model the reactive catalytic step of serotonin degradation.
Integrated simulation outputs with existing experimental and computational data on flavoenzyme kinetics.
Provided strong computational evidence supporting the validity of the proposed hydride-transfer reaction mechanism.
Clarified the chemical pathway of substrate breakdown in monoamine oxidase A and related flavoenzymes to support future neuropsychiatric drug discovery.

Ask about this paper

Answers are grounded in this paper and cite their sources.

Implication

Computational study reveals a hydride-transfer catalytic mechanism in monoamine oxidase A, indicating potential therapeutic strategies for neuropsychiatry.

Abstract

No abstract yet. The journal hasn't published one we can show.

Discussion

No takes yet. Share an insight, caveat, or question.

Cite This Study

Prah et al. (2020) studied this question.

synapsesocial.com/papers/6a1c5717d54006be995fe589 https://doi.org/10.1021/acs.jpcb.0c06502

View Full Paper

Ask AI

Bookmark

Share

How Monoamine Oxidase A Decomposes Serotonin: An Empirical Valence Bond Simulation of the Reactive Step

Key Points

Ask about this paper

Implication

Abstract

Discussion

Cite This Study

How Monoamine Oxidase A Decomposes Serotonin: An Empirical Valence Bond Simulation of the Reactive Step

Key Points

Ask about this paper

Implication

Abstract

Discussion

Cite This Study

Keep reading

Keep reading