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Modeling of the Interaction of Cytochrome c with the Lipid Bilayer

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Abstract—

Interactions of horse heart cytochrome c (Cyt c) with the lipid bilayer consisting of tetraoleoyl cardiolipin molecules were studied by molecular dynamics simulations. It was shown that the Cyt c molecule can penetrate this lipid bilayer. The steps of this process and conformational changes of the Cyt c molecule upon interaction with the bilayer are described. These data can provide better insight into the molecular mechanism of apoptosis.

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Funding

The study was financially supported by the Russian Science Foundation (project no. 19-14-00244, molecular dynamics simulations) and the Ministry of Science and Higher Education of the Russian Federation within the framework of the state assignment for the Federal Scientific Research Centre “Crystallography and Photonics” of the Russian Academy of Sciences (analysis of the results of molecular modeling).

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Authors and Affiliations

  1. Lomonosov Moscow State University, 119991, Moscow, Russia

    P. D. Korotkova, D. D. Podshivalov, A. B. Shumm & Y. A. Vladimirov

  2. Pirogov Russian National Research Medical University, Ministry of Health of the Russian Federation, 117997, Moscow, Russia

    A. A. Yurchenko, A. R. Gusel’nikova & Y. A. Vladimirov

  3. Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,” Russian Academy of Sciences, 119333, Moscow, Russia

    V. I. Timofeev & Y. A. Vladimirov

  4. Kurchatov Complex of NBICS Nature-Like Technologies, National Research Centre “Kurchatov Institute”, 123098, Moscow, Russia

    V. I. Timofeev & D. D. Podshivalov

  5. Lebedev Physical Institute, Russian Academy of Sciences, 119991, Moscow, Russia

    A. B. Shumm

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  1. P. D. Korotkova
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  2. A. A. Yurchenko
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  3. V. I. Timofeev
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  4. D. D. Podshivalov
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  5. A. R. Gusel’nikova
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  6. A. B. Shumm
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  7. Y. A. Vladimirov
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Correspondence to P. D. Korotkova.

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Translated by T. Safonova

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Korotkova, P.D., Yurchenko, A.A., Timofeev, V.I. et al. Modeling of the Interaction of Cytochrome c with the Lipid Bilayer. Crystallogr. Rep. 67, 590–593 (2022). https://doi.org/10.1134/S1063774522030117

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  • DOI: https://doi.org/10.1134/S1063774522030117

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