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Title: On the Binding of Congo Red to Amyloid Fibrils
Author: Espargaró Colomé, Alba
Llabrés Prat, Salomé
Saupe, Sven J.
Curutchet Barat, Carles E.
Luque Garriga, F. Xavier
Sabaté Lagunas, Raimon
Keywords: Amiloïdosi
Coloring matter
Issue Date: 19-Feb-2020
Publisher: Wiley-VCH
Abstract: Amyloids are characterized by their capacity to bind Congo red (CR), one of the most used amyloid‐specific dyes. The structural features of CR binding were unknown for years, mainly because of the lack of amyloid structures solved at high resolution. In the last few years, solid‐state NMR spectroscopy enabled the determination of the structural features of amyloids, such as the HET‐s prion forming domain (HET‐s PFD), which also has recently been used to determine the amyloid-CR interface at atomic resolution. Herein, we combine spectroscopic data with molecular docking, molecular dynamics, and excitonic quantum/molecular mechanics calculations to examine and rationalize CR binding to amyloids. In contrast to a previous assumption on the binding mode, our results suggest that CR binding to the HET‐s PFD involves a cooperative process entailing the formation of a complex with 1:1 stoichiometry. This provides a molecular basis to explain the bathochromic shift in the maximal absorbance wavelength when CR is bound to amyloids.
Note: Versió postprint del document publicat a:
It is part of: Angewandte Chemie-International Edition, 2020, vol. 59, num. 21, p. 8104-8107
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ISSN: 1433-7851
Appears in Collections:Articles publicats en revistes (Institut de Nanociència i Nanotecnologia (IN2UB))
Articles publicats en revistes (Institut de Biomedicina (IBUB))
Articles publicats en revistes (Nutrició, Ciències de l'Alimentació i Gastronomia)
Articles publicats en revistes (Farmàcia, Tecnologia Farmacèutica i Fisicoquímica)

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