Molecular mechanisms of detection and discrimination of dynamic signals

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 target...

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Bibliographic Details
Published in:Scientific reports 2018-02, Vol.8 (1), p.2480-14, Article 2480
Main Authors: Antunes, G., Roque, A. C., Simoes-de-Souza, F. M.
Format: Article
Language:English
Subjects:
119/118
631/114/2391
631/553/2695
96/95
Computer applications
Equilibrium
Humanities and Social Sciences
Kinetics
Molecular modelling
multidisciplinary
Science
Science (multidisciplinary)
Temporal variations
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Summary: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.
ISSN:2045-2322
2045-2322
DOI:10.1038/s41598-018-20842-y