Chemical Space for Peptide-based Antimicrobials

Multidrug-resistant (MDR) bacteria represent a global public health threat, and antimicrobial peptides (AMPs), derived from naturally occurring linear or cyclic peptides, can provide the solution. However, most AMPs are sensitive to proteases and have poor pharmacokinetics. The EU-funded ERC Advance...

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Main Authors: Markus Orsi, Hippolyte Personne, Etienne Bonvin, Thierry Paschoud, Basak Olcay, Xiaoling Hu, Sacha Javor, Jean-Louis Reymond
Format: Article
Language:deu
Published: Swiss Chemical Society 2024-10-01
Series:CHIMIA
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Online Access:https://www.chimia.ch/chimia/article/view/7347
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author Markus Orsi
Hippolyte Personne
Etienne Bonvin
Thierry Paschoud
Basak Olcay
Xiaoling Hu
Sacha Javor
Jean-Louis Reymond
author_facet Markus Orsi
Hippolyte Personne
Etienne Bonvin
Thierry Paschoud
Basak Olcay
Xiaoling Hu
Sacha Javor
Jean-Louis Reymond
author_sort Markus Orsi
collection DOAJ
description Multidrug-resistant (MDR) bacteria represent a global public health threat, and antimicrobial peptides (AMPs), derived from naturally occurring linear or cyclic peptides, can provide the solution. However, most AMPs are sensitive to proteases and have poor pharmacokinetics. The EU-funded ERC Advanced Grant SPACE4AMPS aims to identify new AMPs by applying the concepts of chemical space and ligand-based virtual screening, which are well known for small molecule drug discovery, to the world of peptides. We create virtual libraries of peptides and related molecules and use these approaches to select a few tens of compounds for synthesis and detailed. evaluation of antibacterial, toxicity and stability effects. Recent results and prospects of this ongoing project are presented in this review.
format Article
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publishDate 2024-10-01
publisher Swiss Chemical Society
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series CHIMIA
spelling doaj-art-00d24df2d19245198cfdf4ab7de2963d2025-08-20T02:29:51ZdeuSwiss Chemical SocietyCHIMIA0009-42932673-24242024-10-01781010.2533/chimia.2024.648Chemical Space for Peptide-based AntimicrobialsMarkus Orsi0Hippolyte Personne1Etienne Bonvin2Thierry Paschoud3Basak Olcay4Xiaoling Hu5Sacha Javor6Jean-Louis Reymond7Department of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, CH-3012 Bern, SwitzerlandDepartment of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, CH-3012 Bern, SwitzerlandDepartment of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, CH-3012 Bern, SwitzerlandDepartment of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, CH-3012 Bern, SwitzerlandDepartment of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, CH-3012 Bern, SwitzerlandDepartment of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, CH-3012 Bern, SwitzerlandDepartment of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, CH-3012 Bern, SwitzerlandDepartment of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, CH-3012 Bern, SwitzerlandMultidrug-resistant (MDR) bacteria represent a global public health threat, and antimicrobial peptides (AMPs), derived from naturally occurring linear or cyclic peptides, can provide the solution. However, most AMPs are sensitive to proteases and have poor pharmacokinetics. The EU-funded ERC Advanced Grant SPACE4AMPS aims to identify new AMPs by applying the concepts of chemical space and ligand-based virtual screening, which are well known for small molecule drug discovery, to the world of peptides. We create virtual libraries of peptides and related molecules and use these approaches to select a few tens of compounds for synthesis and detailed. evaluation of antibacterial, toxicity and stability effects. Recent results and prospects of this ongoing project are presented in this review. https://www.chimia.ch/chimia/article/view/7347Antimicrobial peptidesAntimicrobial resistanceChemical spacePeptoidsVirtual screening
spellingShingle Markus Orsi
Hippolyte Personne
Etienne Bonvin
Thierry Paschoud
Basak Olcay
Xiaoling Hu
Sacha Javor
Jean-Louis Reymond
Chemical Space for Peptide-based Antimicrobials
CHIMIA
Antimicrobial peptides
Antimicrobial resistance
Chemical space
Peptoids
Virtual screening
title Chemical Space for Peptide-based Antimicrobials
title_full Chemical Space for Peptide-based Antimicrobials
title_fullStr Chemical Space for Peptide-based Antimicrobials
title_full_unstemmed Chemical Space for Peptide-based Antimicrobials
title_short Chemical Space for Peptide-based Antimicrobials
title_sort chemical space for peptide based antimicrobials
topic Antimicrobial peptides
Antimicrobial resistance
Chemical space
Peptoids
Virtual screening
url https://www.chimia.ch/chimia/article/view/7347
work_keys_str_mv AT markusorsi chemicalspaceforpeptidebasedantimicrobials
AT hippolytepersonne chemicalspaceforpeptidebasedantimicrobials
AT etiennebonvin chemicalspaceforpeptidebasedantimicrobials
AT thierrypaschoud chemicalspaceforpeptidebasedantimicrobials
AT basakolcay chemicalspaceforpeptidebasedantimicrobials
AT xiaolinghu chemicalspaceforpeptidebasedantimicrobials
AT sachajavor chemicalspaceforpeptidebasedantimicrobials
AT jeanlouisreymond chemicalspaceforpeptidebasedantimicrobials