Establishing the link between fibril formation and Raman optical activity spectra of insulin

Physical Chemistry Chemical Physics : PCCP
Jiří KesslerPetr Bour

Abstract

Folding of proteins into insoluble amyloidal fibrils is implicated in a number of biological processes. Optical spectroscopy represents a convenient tool to monitor such structural variations. Recently, characteristic changes in Raman optical activity (ROA) spectra of insulin during a pre-fibrillar stage were reported but not supported by a theoretical model. In the present study, molecular dynamics and the density functional theory are used to simulate the spectra and understand the connection between the structure, and ROA and Raman spectral intensities. Theoretical results are consistent with the observations and only confirm exceptional ROA sensitivity to the protein tertiary structure. Surprisingly, this sensitivity reflects local conformational changes in the peptide main and side chains, rather than a direct through-space interaction of the protein components. Side chains providing strong ROA signals, such as tyrosine, can additionally report on local conformational features. Theoretical modeling helps in explaining the observed spectral changes and is likely to enable future applications of ROA spectroscopy in protein structural studies.

References

Jan 1, 1981·Endocrine Reviews·W C Duckworth, A E Kitabchi
Mar 1, 1994·Protein Science : a Publication of the Protein Society·Z Q WenL D Barron
Dec 15, 1996·Physical Review. B, Condensed Matter·J P PerdewY Wang
Apr 27, 2000·Progress in Biophysics and Molecular Biology·L D BarronA F Bell
Jan 28, 2004·Magnetic Resonance in Chemistry : MRC·Detlef ReichertDaniel Huster
Jul 1, 2004·Journal of the American Chemical Society·Iain H McCollLaurence D Barron
Apr 26, 2005·The Journal of Chemical Physics·Petr BourJosef Kapitán
Oct 4, 2005·Journal of Computational Chemistry·David A CaseRobert J Woods
May 20, 2008·Journal of Computational Chemistry·Valery Andrushchenko, Petr Bour
Sep 25, 2008·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Christoph R JacobMarkus Reiher
Jun 12, 2009·The Journal of Physical Chemistry. B·Robert B Best, Gerhard Hummer
Jul 8, 2009·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Sandra Luber, Markus Reiher
Sep 15, 2009·Chirality·Kenneth Ruud, Andreas J Thorvaldsen
Oct 30, 2009·Proceedings of the National Academy of Sciences of the United States of America·Magdalena I IvanovaDavid Eisenberg
Dec 18, 2009·The Journal of Physical Chemistry. B·Sandra Luber, Markus Reiher
Feb 11, 2010·Journal of Diabetes Science and Technology·Ehud Arbit, Miriam Kidron
Mar 8, 2011·The Journal of Physical Chemistry Letters·Sulayman A OladepoSanford A Asher
Mar 9, 2011·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Shigeki YamamotoPetr Bouř
Dec 3, 2011·The Journal of Physical Chemistry. B·Jana HudecováPetr Bouř
Dec 20, 2011·Chirality·Shigeki Yamamoto, Hitoshi Watarai
Jan 14, 2012·Chemical Communications : Chem Comm·Dmitry KurouskiIgor K Lednev
Jan 21, 2012·Nature Reviews. Drug Discovery·Sarah Crunkhorn
Jan 24, 2012·Analytical Chemistry·Shigeki YamamotoPetr Bouř
Jun 19, 2012·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Jana HudecováPetr Bouř
Sep 12, 2013·The Journal of Physical Chemistry. B·Thomas Weymuth, Markus Reiher
Jul 9, 2013·Journal of Chemical Theory and Computation·Jana HudecováPetr Bouř
Mar 13, 2012·Journal of Chemical Theory and Computation·Shigeki YamamotoPetr Bouř
Jan 14, 2016·Journal of Chemical Theory and Computation·K V Jovan Jose, Krishnan Raghavachari
Apr 22, 2016·Langmuir : the ACS Journal of Surfaces and Colloids·Fernando Tobias, Timothy A Keiderling

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Citations

Oct 24, 2018·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Carl Mensch, Christian Johannessen
Sep 12, 2018·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Carl Mensch, Christian Johannessen
Sep 20, 2019·SLAS Discovery·Waleed A Hassanain, Emad L Izake
Oct 21, 2020·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Monika KrupováPetr Bouř
Aug 29, 2019·ACS Omega·Carl MenschChristian Johannessen

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