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Modeling of Single-Walled Carbon Nanotube Binding to Nitric Oxide Synthase and Guanylate Cyclase Molecular Structures

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Neurophysiology Aims and scope

Previously, we have demonstrated that water dispersible single-walled carbon nanotubes (SWCNTs) may be used in low therapeutic doses in antihypertensive therapy as promising agents capable of activating constitutive nitric oxide synthase (NOS) in spontaneously hypertensive rats, thus increasing the NO production in central and peripheral elements of the cardiovascular system [1]. Here we confirm this effect by docking and molecular dynamics simulations, clearly showing that SWCNTs may interact with NOS and guanylate cyclase molecular structures.

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Authors and Affiliations

  1. Taras Shevchenko National University of Kyiv, Kyiv, Ukraine

    V. V. Hurmach, S. V. Khrapatiy & Yu. I. Prylutskyy

  2. Bogomolets Institute of Physiology, NAS of Ukraine, Kyiv, Ukraine

    D. O. Zavodovskyi

  3. Ilmenau University of Technology, Institute of Chemistry and Biotechnology, Ilmenau, Germany

    E. Täuscher & U. Ritter

Authors
  1. V. V. Hurmach
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  2. S. V. Khrapatiy
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  3. D. O. Zavodovskyi
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  4. Yu. I. Prylutskyy
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  5. E. Täuscher
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  6. U. Ritter
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Correspondence to Yu. I. Prylutskyy.

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Hurmach, V.V., Khrapatiy, S.V., Zavodovskyi, D.O. et al. Modeling of Single-Walled Carbon Nanotube Binding to Nitric Oxide Synthase and Guanylate Cyclase Molecular Structures. Neurophysiology 52, 110–115 (2020). https://doi.org/10.1007/s11062-020-09859-0

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  • DOI: https://doi.org/10.1007/s11062-020-09859-0

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