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  Polysulfates block SARS-CoV-2 uptake through electrostatic interactions

Nie, C., Pouyan, P., Lauster, D., Trimpert, J., Kerkhoff, Y., Szekeres, G. P., et al. (2021). Polysulfates block SARS-CoV-2 uptake through electrostatic interactions. Angewandte Chemie International Edition, 60(29), 15870-15878. doi:10.1002/anie.202102717.

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 Creators:
Nie, Chuanxiong, Author
Pouyan, Paria, Author
Lauster, Daniel, Author
Trimpert, Jakob, Author
Kerkhoff, Yannic, Author
Szekeres, Gergo Peter, Author
Wallert, Matthias, Author
Block, Stephan, Author
Sahoo, Anil Kumar1, Author              
Dernedde, Jens, Author
Pagel, Kevin, Author
Kaufer, Benedikt B., Author
Roland, Author
Netz, R., Author
Ballauff, Matthias, Author
Haag, Rainer, Author
Affiliations:
1Richard Weinkamer, Biomaterialien, Max Planck Institute of Colloids and Interfaces, Max Planck Society, ou_1863295              

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Free keywords: polysulfates; SARS-CoV-2; inhibition; virus binding; electrostatic interactions
 Abstract: Here we report that negatively charged polysulfates can bind to the spike protein of SARS-CoV-2 via electrostatic interactions. Using a plaque reduction assay, we compare inhibition of SARS-CoV-2 by heparin, pentosan sulfate, linear polyglycerol sulfate (LPGS) and hyperbranched polyglycerol sulfate (HPGS). Highly sulfated LPGS is the optimal inhibitor, with a half-maximal inhibitory concentration (IC50) of 67 μg/mL (approx.1.6 μM). This synthetic polysulfates exhibit more than 60-fold higher virus inhibitory activity than heparin (IC50: 4084μg/mL), along with much lower anticoagulant activity. Furthermore, in molecular dynamics simulations, we verified that LPGS can bind stronger to the spike protein than heparin, and that LPGS can interact even morewith the spike protein of the new N501Y and E484K variants. Our study demonstrates that the entry of SARS-CoV-2 into host cells can be blocked via electrostatic interaction, therefore LPGS can serve as a blueprint for the design of novel viral inhibitors of SARS-CoV-2.

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Language(s): eng - English
 Dates: 2021-04-162021
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1002/anie.202102717
DOI: 10.1002/ange.202102717
DOI: 10.26434/chemrxiv.14074070.v1
BibTex Citekey: Nie2021
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Title: Angewandte Chemie International Edition
  Abbreviation : Angew. Chem., Int. Ed.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH
Pages: - Volume / Issue: 60 (29) Sequence Number: - Start / End Page: 15870 - 15878 Identifier: ISSN: 1433-7851

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Title: Angewandte Chemie
  Abbreviation : Angew. Chem.
Source Genre: Journal
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Affiliations:
Publ. Info: Weinheim : Wiley-VCH
Pages: - Volume / Issue: 133 (29) Sequence Number: - Start / End Page: 16005 - 16014 Identifier: ISSN: 0044-8249

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Title: ChemRxiv
Source Genre: Journal
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Publ. Info: Washington, Frankfurt am Main, Cambridge : ACS, GDCh, RSC
Pages: - Volume / Issue: - Sequence Number: 14074070 Start / End Page: - Identifier: ZDB: 2949094-7