Molecular mechanisms of detection and discrimination of dynamic signals

Abstract Many molecules decode not only the concentration of cellular signals, but also their temporal dynamics. However, little is known about the mechanisms that underlie the detection and discrimination of dynamic signals. We used computational modelling of the interaction of a ligand with multip...

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Autores principales: G. Antunes, A. C. Roque, F. M. Simoes-de-Souza
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Publicado: Nature Portfolio 2018
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Acceso en línea:https://doaj.org/article/fb4eef05566248a68fa7b3cd3074cb2e
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spelling oai:doaj.org-article:fb4eef05566248a68fa7b3cd3074cb2e2021-12-02T15:09:12ZMolecular mechanisms of detection and discrimination of dynamic signals10.1038/s41598-018-20842-y2045-2322https://doaj.org/article/fb4eef05566248a68fa7b3cd3074cb2e2018-02-01T00:00:00Zhttps://doi.org/10.1038/s41598-018-20842-yhttps://doaj.org/toc/2045-2322Abstract Many molecules decode not only the concentration of cellular signals, but also their temporal dynamics. However, little is known about the mechanisms that underlie the detection and discrimination of dynamic signals. We used computational modelling of the interaction of a ligand with multiple targets to investigate how kinetic and thermodynamic parameters regulate their capabilities to respond to dynamic signals. Our results demonstrated that the detection and discrimination of temporal features of signal inputs occur for reactions proceeding outside mass-action equilibrium. For these reactions, thermodynamic parameters such as affinity do not predict their outcomes. Additionally, we showed that, at non-equilibrium, the association rate constants determine the amount of product formed in reversible reactions. In contrast, the dissociation rate constants regulate the time interval required for reversible reactions to achieve equilibrium and, consequently, control their ability to detect and discriminate dynamic features of cellular signals.G. AntunesA. C. RoqueF. M. Simoes-de-SouzaNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 8, Iss 1, Pp 1-14 (2018)
institution DOAJ
collection DOAJ
language EN
topic Medicine
R
Science
Q
spellingShingle Medicine
R
Science
Q
G. Antunes
A. C. Roque
F. M. Simoes-de-Souza
Molecular mechanisms of detection and discrimination of dynamic signals
description Abstract Many molecules decode not only the concentration of cellular signals, but also their temporal dynamics. However, little is known about the mechanisms that underlie the detection and discrimination of dynamic signals. We used computational modelling of the interaction of a ligand with multiple targets to investigate how kinetic and thermodynamic parameters regulate their capabilities to respond to dynamic signals. Our results demonstrated that the detection and discrimination of temporal features of signal inputs occur for reactions proceeding outside mass-action equilibrium. For these reactions, thermodynamic parameters such as affinity do not predict their outcomes. Additionally, we showed that, at non-equilibrium, the association rate constants determine the amount of product formed in reversible reactions. In contrast, the dissociation rate constants regulate the time interval required for reversible reactions to achieve equilibrium and, consequently, control their ability to detect and discriminate dynamic features of cellular signals.
format article
author G. Antunes
A. C. Roque
F. M. Simoes-de-Souza
author_facet G. Antunes
A. C. Roque
F. M. Simoes-de-Souza
author_sort G. Antunes
title Molecular mechanisms of detection and discrimination of dynamic signals
title_short Molecular mechanisms of detection and discrimination of dynamic signals
title_full Molecular mechanisms of detection and discrimination of dynamic signals
title_fullStr Molecular mechanisms of detection and discrimination of dynamic signals
title_full_unstemmed Molecular mechanisms of detection and discrimination of dynamic signals
title_sort molecular mechanisms of detection and discrimination of dynamic signals
publisher Nature Portfolio
publishDate 2018
url https://doaj.org/article/fb4eef05566248a68fa7b3cd3074cb2e
work_keys_str_mv AT gantunes molecularmechanismsofdetectionanddiscriminationofdynamicsignals
AT acroque molecularmechanismsofdetectionanddiscriminationofdynamicsignals
AT fmsimoesdesouza molecularmechanismsofdetectionanddiscriminationofdynamicsignals
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