In silico investigation of molecular interactions of volatile anesthetics: effects on phospholipid membranes and subcellular targets


Published: 29 September 2021
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Authors

  • Eric A. Zizzi PolitoBIOMedLab, Department of Mechanical and Aerospace Engineering, Politecnico di Torino, Turin, Italy.
  • Marco Cavaglià PolitoBIOMedLab, Department of Mechanical and Aerospace Engineering, Politecnico di Torino, Turin, Italy.
  • Marco A. Deriu PolitoBIOMedLab, Department of Mechanical and Aerospace Engineering, Politecnico di Torino, Turin, Italy.
  • Jack A. Tuszynski PolitoBIOMedLab, Department of Mechanical and Aerospace Engineering, Politecnico di Torino, Turin, Italy.

The ability of anesthetics to reversibly suppress consciousness must reside in the effects exerted onto specific molecular targets. Interactions between volatile anesthetics and the phospholipid membrane as well as intracellular tubulin, were investigated using Computational Molecular Modelling, which showed rapid ligand partitioning inside the membrane and significant effects on the mechanical characteristics thereof, while transient binding locations have been found on the tubulin dimer.


Zizzi, E. A., Cavaglià, M., Deriu, M. A., & Tuszynski, J. A. (2021). <em>In silico</em> investigation of molecular interactions of volatile anesthetics: effects on phospholipid membranes and subcellular targets. Biomedical Science and Engineering, 2(1). https://doi.org/10.4081/bse.202

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