Chemical Space for Peptide-based Antimicrobials

Authors

  • Markus Orsi Department of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, CH-3012 Bern, Switzerland
  • Hippolyte Personne Department of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, CH-3012 Bern, Switzerland
  • Etienne Bonvin Department of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, CH-3012 Bern, Switzerland
  • Thierry Paschoud Department of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, CH-3012 Bern, Switzerland
  • Basak Olcay Department of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, CH-3012 Bern, Switzerland
  • Xiaoling Hu Department of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, CH-3012 Bern, Switzerland
  • Sacha Javor Department of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, CH-3012 Bern, Switzerland
  • Jean-Louis Reymond University of Bern

DOI:

https://doi.org/10.2533/chimia.2024.648

Keywords:

Antimicrobial peptides, Antimicrobial resistance, Chemical space, Peptoids, Virtual screening

Abstract

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.

Funding data

Downloads

Published

2024-10-30

How to Cite

[1]
M. Orsi, H. Personne, E. Bonvin, T. Paschoud, B. Olcay, X. Hu, S. Javor, J.-L. Reymond, Chimia 2024, 78, 648, DOI: 10.2533/chimia.2024.648.