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  Weak carbohydrate-carbohydrate interactions in membrane adhesion are fuzzy and generic

Kav, B., Grafmüller, A., Schneck, E., & Weikl, T. R. (2020). Weak carbohydrate-carbohydrate interactions in membrane adhesion are fuzzy and generic. Nanoscale, 12(33), 17342-17353. doi:10.1039/D0NR03696J.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0006-CF8C-4 Version Permalink: http://hdl.handle.net/21.11116/0000-0006-F6C8-3
Genre: Journal Article

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 Creators:
Kav, Batuhan1, Author              
Grafmüller, Andrea2, Author              
Schneck, Emanuel3, Author              
Weikl, Thomas R.1, Author              
Affiliations:
1Thomas Weikl, Theorie & Bio-Systeme, Max Planck Institute of Colloids and Interfaces, Max Planck Society, ou_1863330              
2Andrea Grafmüller, Theorie & Bio-Systeme, Max Planck Institute of Colloids and Interfaces, Max Planck Society, ou_1863323              
3Emanuel Schneck, Biomaterialien, Max Planck Institute of Colloids and Interfaces, Max Planck Society, ou_2074300              

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 Abstract: Carbohydrates such as the trisaccharide motif LeX are key constituents of cell surfaces. Despite intense research, the interactions between carbohydrates of apposing cells or membranes are not well understood. In this article, we investigate carbohydrate-carbohydrate interactions in membrane adhesion as well as in solution with extensive atomistic molecular dynamics simulations that exceed the simulation times of previous studies by orders of magnitude. For LeX, we obtain association constants of soluble carbohydrates, adhesion energies of lipid-anchored carbohydrates, and maximally sustained forces of trans-complexes in membrane adhesion that are in good agreement with experimental results in the literature. Our simulations thus appear to provide a realistic, detailed picture of LeX-LeX interactions in solution and during membrane adhesion. In this picture, the LeX-LeX interactions are fuzzy, i.e. LeX pairs interact in a large variety of short-lived, bound conformations. For the synthetic tetrasaccharide Lac 2, which is composed of two lactose units, we observe similarly fuzzy interactions and obtain association constants of both soluble and lipid-anchored variants that are comparable to the corresponding association constants of LeX. The fuzzy, weak carbohydrate-carbohydrate interactions quantified in our simulations thus appear to be a generic feature of small, neutral carbohydrates such as LeX and Lac 2.

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Language(s): eng - English
 Dates: 2020-08-042020
 Publication Status: Published in print
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 Identifiers: DOI: 10.1039/D0NR03696J
BibTex Citekey: D0NR03696J
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Title: Nanoscale
  Abbreviation : Nanoscale
Source Genre: Journal
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Publ. Info: Cambridge, UK : Royal Society of Chemistry
Pages: - Volume / Issue: 12 (33) Sequence Number: - Start / End Page: 17342 - 17353 Identifier: ISSN: 2040-3364