Scanning Protein Surfaces with DNA-Encoded Libraries.


Journal

ChemMedChem
ISSN: 1860-7187
Titre abrégé: ChemMedChem
Pays: Germany
ID NLM: 101259013

Informations de publication

Date de publication:
08 04 2021
Historique:
received: 08 11 2020
pubmed: 10 12 2020
medline: 29 12 2021
entrez: 9 12 2020
Statut: ppublish

Résumé

Understanding the ligandability of a target protein, defined as the capability of a protein to bind drug-like compounds on any site, can give important stimuli to drug-development projects. For instance, inhibition of protein-protein interactions usually depends on the identification of protein surface binders. DNA-encoded chemical libraries (DELs) allow scanning of protein surfaces with large chemical space. Encoded library selection screens uncovered several protein-protein interaction inhibitors and compounds binding to the surface of G protein-coupled receptors (GPCRs) and kinases. The protein surface-binding chemotypes from DELs are predominantly chemically modified and cyclized peptides, and functional small-molecule peptidomimetics. Peptoid libraries and structural peptidomimetics have been less studied in the DEL field, hinting at hitherto less populated chemical space and suggesting alternative library designs. Roughly a third of bioactive molecules evolved from smaller, target-focused libraries. They showcase the potential of encoded libraries to identify more potent molecules from weak, for example, fragment-like, starting points.

Identifiants

pubmed: 33295694
doi: 10.1002/cmdc.202000869
pmc: PMC8048995
doi:

Substances chimiques

Receptors, G-Protein-Coupled 0
Small Molecule Libraries 0
DNA 9007-49-2
Phosphotransferases EC 2.7.-

Types de publication

Journal Article Research Support, Non-U.S. Gov't Review

Langues

eng

Sous-ensembles de citation

IM

Pagination

1048-1062

Subventions

Organisme : DFG (Deutsche Forschungsgemeinschaft)
ID : BR 5049/7-1
Organisme : Mercator Research Center Ruhr (MERCUR)
ID : Pr-2016-0010
Organisme : Drug Discovery Hub Dortmund (DDHD)

Informations de copyright

© 2020 The Authors. ChemMedChem published by Wiley-VCH GmbH.

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Auteurs

Verena B K Kunig (VBK)

Faculty of Chemistry and Chemical Biology, TU Dortmund University, Otto-Hahn-Straße 6, 44227, Dortmund, Germany.

Marco Potowski (M)

Faculty of Chemistry and Chemical Biology, TU Dortmund University, Otto-Hahn-Straße 6, 44227, Dortmund, Germany.

Mateja Klika Škopić (M)

Faculty of Chemistry and Chemical Biology, TU Dortmund University, Otto-Hahn-Straße 6, 44227, Dortmund, Germany.

Andreas Brunschweiger (A)

Faculty of Chemistry and Chemical Biology, TU Dortmund University, Otto-Hahn-Straße 6, 44227, Dortmund, Germany.

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