Conformation transition of betaA in solution and on surface of lipid bilayer

ORAL

Abstract

Beta amyloid (betaA) is a 39 to 43 residue peptide generated by a proteolytic cleavage of a large transmembrane amyloid precursor protein in neuronal membranes. The misfolding and self-aggregation of betaA, as well as its interactions with neuronal membranes, have been linked to the early onset of pathogenesis of Alzheimer disease. The secondary structure conformational transition of betaA from an alpha-helix to beta-sheet in some key regions of the peptide represents an important signature of the complex misfolding behavior of betaA. Using all-atom molecular dynamics simulations, the conformation changes of betaA in solution and on the surface of lipid bilayer containing nanodomains of cholesterol have been studied. Our results indicated that the appearance of beta-sheet structures depends strong on the initial structures of betaA and the arrangement of cholesterol molecules in the lipid bilayer.

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Authors

  • Edward Fry

    Institute for Astronomy, ETH, National Optical Astronomy Observatory, Department of Physics, ETH, Texas A&M University, LANL, American Physical Society, Society of Physics Students National Office, Texas Tech University, University of Texas, Universite d'Orleans, Steward Observatory, University of Arizona, Texas A\&M University-Commerce, Texas A\&M University, Institute for Quantum Electronics, ETH Zurich, Department of Engineering and Applied Science, Harvard University, Rice University, University of Houston, Bucknell University, Department of Physics, Texas A\&M University, Air Force Research Laboratory, Department of Physics, Texas A\&M University, College Station, TX 77843, Department of Physics and MIC, Texas A\&M University, University of Texas at Arlington, Changwon National University, University of North Texas, Southwestern University, The Pennsylvania State University, University of Dallas, UT Southwestern Medical Center, Naval Air Systems Command, Institute for Quantum Studies and Department of Physics, Texas A\&M University, College Station, TX 77843, The University of Texas at Arlington, TCU, ELTE, National Institute of Chemistry, Ljubljana, Slovenia, Texas Christian University, Fort Worth, TX, Dept. of Physics, Texas A\&M University-Commerce, Univ. of North Texas, Los Alamos National Laboratory, Oswego State University of New York, Lee College, University of Texas at San Antonio, UTSA-Professor, UNT, Sam Houston State University, Sewanee: The University of the South, Director of Education for NSF, Center for Nonlinear Dynamics and Department of Physics, The University of Texas at Austin, Sackler School of Chemistry, Tel-Aviv University, Rice University, Department of Physics and Astronomy, Houston, TX 77005, Center for Nonlinear Dynamics, University of Texas at Austin

  • Edward Fry

    Institute for Astronomy, ETH, National Optical Astronomy Observatory, Department of Physics, ETH, Texas A&M University, LANL, American Physical Society, Society of Physics Students National Office, Texas Tech University, University of Texas, Universite d'Orleans, Steward Observatory, University of Arizona, Texas A\&M University-Commerce, Texas A\&M University, Institute for Quantum Electronics, ETH Zurich, Department of Engineering and Applied Science, Harvard University, Rice University, University of Houston, Bucknell University, Department of Physics, Texas A\&M University, Air Force Research Laboratory, Department of Physics, Texas A\&M University, College Station, TX 77843, Department of Physics and MIC, Texas A\&M University, University of Texas at Arlington, Changwon National University, University of North Texas, Southwestern University, The Pennsylvania State University, University of Dallas, UT Southwestern Medical Center, Naval Air Systems Command, Institute for Quantum Studies and Department of Physics, Texas A\&M University, College Station, TX 77843, The University of Texas at Arlington, TCU, ELTE, National Institute of Chemistry, Ljubljana, Slovenia, Texas Christian University, Fort Worth, TX, Dept. of Physics, Texas A\&M University-Commerce, Univ. of North Texas, Los Alamos National Laboratory, Oswego State University of New York, Lee College, University of Texas at San Antonio, UTSA-Professor, UNT, Sam Houston State University, Sewanee: The University of the South, Director of Education for NSF, Center for Nonlinear Dynamics and Department of Physics, The University of Texas at Austin, Sackler School of Chemistry, Tel-Aviv University, Rice University, Department of Physics and Astronomy, Houston, TX 77005, Center for Nonlinear Dynamics, University of Texas at Austin

  • Edward Fry

    Institute for Astronomy, ETH, National Optical Astronomy Observatory, Department of Physics, ETH, Texas A&M University, LANL, American Physical Society, Society of Physics Students National Office, Texas Tech University, University of Texas, Universite d'Orleans, Steward Observatory, University of Arizona, Texas A\&M University-Commerce, Texas A\&M University, Institute for Quantum Electronics, ETH Zurich, Department of Engineering and Applied Science, Harvard University, Rice University, University of Houston, Bucknell University, Department of Physics, Texas A\&M University, Air Force Research Laboratory, Department of Physics, Texas A\&M University, College Station, TX 77843, Department of Physics and MIC, Texas A\&M University, University of Texas at Arlington, Changwon National University, University of North Texas, Southwestern University, The Pennsylvania State University, University of Dallas, UT Southwestern Medical Center, Naval Air Systems Command, Institute for Quantum Studies and Department of Physics, Texas A\&M University, College Station, TX 77843, The University of Texas at Arlington, TCU, ELTE, National Institute of Chemistry, Ljubljana, Slovenia, Texas Christian University, Fort Worth, TX, Dept. of Physics, Texas A\&M University-Commerce, Univ. of North Texas, Los Alamos National Laboratory, Oswego State University of New York, Lee College, University of Texas at San Antonio, UTSA-Professor, UNT, Sam Houston State University, Sewanee: The University of the South, Director of Education for NSF, Center for Nonlinear Dynamics and Department of Physics, The University of Texas at Austin, Sackler School of Chemistry, Tel-Aviv University, Rice University, Department of Physics and Astronomy, Houston, TX 77005, Center for Nonlinear Dynamics, University of Texas at Austin

  • Edward Fry

    Institute for Astronomy, ETH, National Optical Astronomy Observatory, Department of Physics, ETH, Texas A&M University, LANL, American Physical Society, Society of Physics Students National Office, Texas Tech University, University of Texas, Universite d'Orleans, Steward Observatory, University of Arizona, Texas A\&M University-Commerce, Texas A\&M University, Institute for Quantum Electronics, ETH Zurich, Department of Engineering and Applied Science, Harvard University, Rice University, University of Houston, Bucknell University, Department of Physics, Texas A\&M University, Air Force Research Laboratory, Department of Physics, Texas A\&M University, College Station, TX 77843, Department of Physics and MIC, Texas A\&M University, University of Texas at Arlington, Changwon National University, University of North Texas, Southwestern University, The Pennsylvania State University, University of Dallas, UT Southwestern Medical Center, Naval Air Systems Command, Institute for Quantum Studies and Department of Physics, Texas A\&M University, College Station, TX 77843, The University of Texas at Arlington, TCU, ELTE, National Institute of Chemistry, Ljubljana, Slovenia, Texas Christian University, Fort Worth, TX, Dept. of Physics, Texas A\&M University-Commerce, Univ. of North Texas, Los Alamos National Laboratory, Oswego State University of New York, Lee College, University of Texas at San Antonio, UTSA-Professor, UNT, Sam Houston State University, Sewanee: The University of the South, Director of Education for NSF, Center for Nonlinear Dynamics and Department of Physics, The University of Texas at Austin, Sackler School of Chemistry, Tel-Aviv University, Rice University, Department of Physics and Astronomy, Houston, TX 77005, Center for Nonlinear Dynamics, University of Texas at Austin

  • Edward Fry

    Institute for Astronomy, ETH, National Optical Astronomy Observatory, Department of Physics, ETH, Texas A&M University, LANL, American Physical Society, Society of Physics Students National Office, Texas Tech University, University of Texas, Universite d'Orleans, Steward Observatory, University of Arizona, Texas A\&M University-Commerce, Texas A\&M University, Institute for Quantum Electronics, ETH Zurich, Department of Engineering and Applied Science, Harvard University, Rice University, University of Houston, Bucknell University, Department of Physics, Texas A\&M University, Air Force Research Laboratory, Department of Physics, Texas A\&M University, College Station, TX 77843, Department of Physics and MIC, Texas A\&M University, University of Texas at Arlington, Changwon National University, University of North Texas, Southwestern University, The Pennsylvania State University, University of Dallas, UT Southwestern Medical Center, Naval Air Systems Command, Institute for Quantum Studies and Department of Physics, Texas A\&M University, College Station, TX 77843, The University of Texas at Arlington, TCU, ELTE, National Institute of Chemistry, Ljubljana, Slovenia, Texas Christian University, Fort Worth, TX, Dept. of Physics, Texas A\&M University-Commerce, Univ. of North Texas, Los Alamos National Laboratory, Oswego State University of New York, Lee College, University of Texas at San Antonio, UTSA-Professor, UNT, Sam Houston State University, Sewanee: The University of the South, Director of Education for NSF, Center for Nonlinear Dynamics and Department of Physics, The University of Texas at Austin, Sackler School of Chemistry, Tel-Aviv University, Rice University, Department of Physics and Astronomy, Houston, TX 77005, Center for Nonlinear Dynamics, University of Texas at Austin