Oleic Acid Could Act as a Channel Blocker in the Inhibition of nAChR: Insights from Molecular Dynamics Simulations
Obiol DJ, Amundarain MJ, Zamarreno F, Vietri A, Antollini SS, Costabel MD (2024)
Journal of Physical Chemistry B: Biophysics, Biomaterials, Liquids, and Soft Matter.
Zeitschriftenaufsatz
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Autor*in
Obiol, Diego J;
Amundarain, Maria JuliaUniBi;
Zamarreno, Fernando;
Vietri, Agustin;
Antollini, Silvia S;
Costabel, Marcelo D
Einrichtung
Abstract / Bemerkung
The activation of the muscular nicotinic acetylcholine receptor (nAChR) produces the opening of the channel, with the consequent increase in the permeability of cations, triggering an excitatory signal. Free fatty acids (FFA) are known to modulate the activity of the receptor as noncompetitive antagonists, acting at the membrane-AChR interface. We present molecular dynamics simulations of a model of nAChR in a desensitized closed state embedded in a lipid bilayer in which distinct membrane phospholipids were replaced by two different monounsaturated FFA that differ in the position of a double bond. This allowed us to detect and describe that the cis-18:1omega-9 FFA were located at the interface between the transmembrane segments of alpha2 and gamma subunits diffused into the channel lumen with the consequent potential ability to block the channel to the passage of ions.
Erscheinungsjahr
2024
Zeitschriftentitel
Journal of Physical Chemistry B: Biophysics, Biomaterials, Liquids, and Soft Matter
eISSN
1520-5207
Page URI
https://pub.uni-bielefeld.de/record/2987691
Zitieren
Obiol DJ, Amundarain MJ, Zamarreno F, Vietri A, Antollini SS, Costabel MD. Oleic Acid Could Act as a Channel Blocker in the Inhibition of nAChR: Insights from Molecular Dynamics Simulations. Journal of Physical Chemistry B: Biophysics, Biomaterials, Liquids, and Soft Matter. 2024.
Obiol, D. J., Amundarain, M. J., Zamarreno, F., Vietri, A., Antollini, S. S., & Costabel, M. D. (2024). Oleic Acid Could Act as a Channel Blocker in the Inhibition of nAChR: Insights from Molecular Dynamics Simulations. Journal of Physical Chemistry B: Biophysics, Biomaterials, Liquids, and Soft Matter. https://doi.org/10.1021/acs.jpcb.3c07067
Obiol, Diego J, Amundarain, Maria Julia, Zamarreno, Fernando, Vietri, Agustin, Antollini, Silvia S, and Costabel, Marcelo D. 2024. “Oleic Acid Could Act as a Channel Blocker in the Inhibition of nAChR: Insights from Molecular Dynamics Simulations”. Journal of Physical Chemistry B: Biophysics, Biomaterials, Liquids, and Soft Matter.
Obiol, D. J., Amundarain, M. J., Zamarreno, F., Vietri, A., Antollini, S. S., and Costabel, M. D. (2024). Oleic Acid Could Act as a Channel Blocker in the Inhibition of nAChR: Insights from Molecular Dynamics Simulations. Journal of Physical Chemistry B: Biophysics, Biomaterials, Liquids, and Soft Matter.
Obiol, D.J., et al., 2024. Oleic Acid Could Act as a Channel Blocker in the Inhibition of nAChR: Insights from Molecular Dynamics Simulations. Journal of Physical Chemistry B: Biophysics, Biomaterials, Liquids, and Soft Matter.
D.J. Obiol, et al., “Oleic Acid Could Act as a Channel Blocker in the Inhibition of nAChR: Insights from Molecular Dynamics Simulations”, Journal of Physical Chemistry B: Biophysics, Biomaterials, Liquids, and Soft Matter, 2024.
Obiol, D.J., Amundarain, M.J., Zamarreno, F., Vietri, A., Antollini, S.S., Costabel, M.D.: Oleic Acid Could Act as a Channel Blocker in the Inhibition of nAChR: Insights from Molecular Dynamics Simulations. Journal of Physical Chemistry B: Biophysics, Biomaterials, Liquids, and Soft Matter. (2024).
Obiol, Diego J, Amundarain, Maria Julia, Zamarreno, Fernando, Vietri, Agustin, Antollini, Silvia S, and Costabel, Marcelo D. “Oleic Acid Could Act as a Channel Blocker in the Inhibition of nAChR: Insights from Molecular Dynamics Simulations”. Journal of Physical Chemistry B: Biophysics, Biomaterials, Liquids, and Soft Matter (2024).
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