Počet záznamů: 1  

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

  1. 1.
    0476008 - ÚOCHB 2018 RIV GB eng J - Článek v odborném periodiku
    Kessler, Jiří - Yamamoto, S. - Bouř, Petr
    Establishing the link between fibril formation and Raman optical activity spectra of insulin.
    Physical Chemistry Chemical Physics. Roč. 19, č. 21 (2017), s. 13614-13621. ISSN 1463-9076. E-ISSN 1463-9084
    Grant CEP: GA ČR(CZ) GA16-05935S; GA ČR GA15-09072S
    Grant ostatní: COST(XE) CA15214
    Institucionální podpora: RVO:61388963
    Klíčová slova: molecular dynamics clusters * absolute configuration * vibrational spectra
    Obor OECD: Physical chemistry
    Impakt faktor: 3.906, rok: 2017

    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.
    Trvalý link: http://hdl.handle.net/11104/0272581

     
     
Počet záznamů: 1  

  Tyto stránky využívají soubory cookies, které usnadňují jejich prohlížení. Další informace o tom jak používáme cookies.