Targeting undruggable carbohydrate recognition sites through focused fragment library design

Carbohydrate–protein interactions are key for cell–cell and host–pathogen recognition, but their hydrophilic nature makes the development of drug-like inhibitors a challenge. Here, screening of fragment libraries identifies metal-binding pharmacophores as novel scaffolds for the inhibition of Ca2+-d...

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Main Authors: Elena Shanina, Sakonwan Kuhaudomlarp, Eike Siebs, Felix F. Fuchsberger, Maxime Denis, Priscila da Silva Figueiredo Celestino Gomes, Mads H. Clausen, Peter H. Seeberger, Didier Rognan, Alexander Titz, Anne Imberty, Christoph Rademacher
Format: Article
Language:English
Published: Nature Portfolio 2022-05-01
Series:Communications Chemistry
Online Access:https://doi.org/10.1038/s42004-022-00679-3
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author Elena Shanina
Sakonwan Kuhaudomlarp
Eike Siebs
Felix F. Fuchsberger
Maxime Denis
Priscila da Silva Figueiredo Celestino Gomes
Mads H. Clausen
Peter H. Seeberger
Didier Rognan
Alexander Titz
Anne Imberty
Christoph Rademacher
author_facet Elena Shanina
Sakonwan Kuhaudomlarp
Eike Siebs
Felix F. Fuchsberger
Maxime Denis
Priscila da Silva Figueiredo Celestino Gomes
Mads H. Clausen
Peter H. Seeberger
Didier Rognan
Alexander Titz
Anne Imberty
Christoph Rademacher
author_sort Elena Shanina
collection DOAJ
description Carbohydrate–protein interactions are key for cell–cell and host–pathogen recognition, but their hydrophilic nature makes the development of drug-like inhibitors a challenge. Here, screening of fragment libraries identifies metal-binding pharmacophores as novel scaffolds for the inhibition of Ca2+-dependent carbohydrate–protein interactions.
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spelling doaj.art-4b306191f31141ed861dba296acb045e2022-12-22T00:23:48ZengNature PortfolioCommunications Chemistry2399-36692022-05-015111110.1038/s42004-022-00679-3Targeting undruggable carbohydrate recognition sites through focused fragment library designElena Shanina0Sakonwan Kuhaudomlarp1Eike Siebs2Felix F. Fuchsberger3Maxime Denis4Priscila da Silva Figueiredo Celestino Gomes5Mads H. Clausen6Peter H. Seeberger7Didier Rognan8Alexander Titz9Anne Imberty10Christoph Rademacher11Max Planck Institute of Colloids and Interfaces, Department of Biomolecular Systems, Am Mühlenberg 1University Grenoble Alpes, CNRS, CERMAVChemical Biology of Carbohydrates (CBCH), Helmholtz Institute for Pharmaceutical Research Saarland (HIPS), Helmholtz Centre for Infection ResearchMax Planck Institute of Colloids and Interfaces, Department of Biomolecular Systems, Am Mühlenberg 1University of Vienna, Department of Pharmaceutical Sciences, Althanstrasse 14Laboratoire d’Innovation Thérapeutique, UMR 7200 CNRS-Université de StrasbourgTechnical University of Denmark, Center for Nanomedicine and Theranostics, Department of Chemistry, Kemitorvet 207Max Planck Institute of Colloids and Interfaces, Department of Biomolecular Systems, Am Mühlenberg 1Laboratoire d’Innovation Thérapeutique, UMR 7200 CNRS-Université de StrasbourgChemical Biology of Carbohydrates (CBCH), Helmholtz Institute for Pharmaceutical Research Saarland (HIPS), Helmholtz Centre for Infection ResearchUniversity Grenoble Alpes, CNRS, CERMAVMax Planck Institute of Colloids and Interfaces, Department of Biomolecular Systems, Am Mühlenberg 1Carbohydrate–protein interactions are key for cell–cell and host–pathogen recognition, but their hydrophilic nature makes the development of drug-like inhibitors a challenge. Here, screening of fragment libraries identifies metal-binding pharmacophores as novel scaffolds for the inhibition of Ca2+-dependent carbohydrate–protein interactions.https://doi.org/10.1038/s42004-022-00679-3
spellingShingle Elena Shanina
Sakonwan Kuhaudomlarp
Eike Siebs
Felix F. Fuchsberger
Maxime Denis
Priscila da Silva Figueiredo Celestino Gomes
Mads H. Clausen
Peter H. Seeberger
Didier Rognan
Alexander Titz
Anne Imberty
Christoph Rademacher
Targeting undruggable carbohydrate recognition sites through focused fragment library design
Communications Chemistry
title Targeting undruggable carbohydrate recognition sites through focused fragment library design
title_full Targeting undruggable carbohydrate recognition sites through focused fragment library design
title_fullStr Targeting undruggable carbohydrate recognition sites through focused fragment library design
title_full_unstemmed Targeting undruggable carbohydrate recognition sites through focused fragment library design
title_short Targeting undruggable carbohydrate recognition sites through focused fragment library design
title_sort targeting undruggable carbohydrate recognition sites through focused fragment library design
url https://doi.org/10.1038/s42004-022-00679-3
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