title: Theoretical study of volume changes accompanying xenon-lysozyme binding: implications for the molecular mechanism of pressure reversal of anesthesia.
abstract: The change in partial molar volume (PMV) accompanying the xenon-lysozyme binding was investigated for elucidating the molecular mechanism of the pressure reversal of general anesthesia, using the three-dimensional reference interaction site model theory of molecular solvation. An increase of the PMV from xenon binding to the substrate binding site of lysozyme was found, and the binding is suppressed by pressure, while the internal site binding did not change the PMV. The PMV change was analyzed by decomposing it into several contributions from geometry and hydration. We also analyzed the hydration change due to the binding. From the results, we draw a molecular picture of the PMV change accompanying xenon-lysozyme binding, which gives a possible mechanism of pressure reversal of anesthesia.
authors.affiliation: Department of Bioscience and Bioinformatics, Ritsumeikan University, Kusatsu, Shiga 525-8577, Japan. t-imai@is.ritsumei.ac.jp
authors.forename: Takashi
authors.initials: T
authors.lastname: Imai
authors.forename: Hideto
authors.initials: H
authors.lastname: Isogai
authors.forename: Tomoyoshi
authors.initials: T
authors.lastname: Seto
authors.forename: Andriy
authors.initials: A
authors.lastname: Kovalenko
authors.forename: Fumio
authors.initials: F
authors.lastname: Hirata
mesh_terms: D000768:Anesthesia, General; D008958:Models, Molecular; D009113:Muramidase / Q000378:metabolism*; D011312:Pressure; D011485:Protein Binding; D014978:Xenon / Q000378:metabolism*
chemical_list: D014978:Xenon; D009113:Muramidase