Ethanol effects on L-type voltage-gated calcium channel performance

•Ethanol molecules disrupt the passage of calcium ions in the channel.•Diffusion coefficient in the absence of ethanol is 2500 nm2/ps and in the presence of ethanol it is 200 nm2/ps.•The flow of ions in the channels is controlled due to the presence of ethanol molecules. Drinking too much alcohol ca...

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Veröffentlicht in:Journal of molecular liquids 2023-05, Vol.378, p.121634, Article 121634
Hauptverfasser: Yoosefian, Mehdi, Tajaddini, Batool, Ahmadzadeh, Saeid, Zeraati-Moghani, Maryam, Pakdin-Parizi, Zahra
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Sprache:eng
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Zusammenfassung:•Ethanol molecules disrupt the passage of calcium ions in the channel.•Diffusion coefficient in the absence of ethanol is 2500 nm2/ps and in the presence of ethanol it is 200 nm2/ps.•The flow of ions in the channels is controlled due to the presence of ethanol molecules. Drinking too much alcohol can lead to the development of chronic diseases and other serious problems including: heart disease, high blood pressure, stroke, digestive problems and liver disease. Over the past two decades, researchers have confirmed that ethanol is the primary agent in altering the function of voltage-gated calcium channels that lead to clock responses and behavioral responses to alcohol. In this study, the ethanol influence on calcium channel operation has been studied by molecular dynamics simulation of L-type calcium channels in the presence and absence of ethanol. Density, radius distribution, average potential force, radius gyration, pore radius, root mean square deviation and root mean square fluctuation are the performed analysis in this study. According to the results obtained; Ethanol blocks the calcium channel and interferes with calcium ions passage. Also, calcium ions show a greater tendency to interact with the residues inside the protein channel in the presence of ethanol.
ISSN:0167-7322
DOI:10.1016/j.molliq.2023.121634