Chemical Space for Antimicrobials on a Peptide Basis

Project Information

SPACE4AMPS

Grant agreement ID: 885076

DOI

10.3030/885076

EC signature date 27 May 2020

Start date 1 January 2021

End date 31 December 2025

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost

€ 2 495 285,00

EU contribution

€ 2 495 285,00

Coordinated by

UNIVERSITAET BERN
Switzerland

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (22)

Machine learning designs non-hemolytic antimicrobial peptides

Author(s): Alice Capecchi; Xingguang Cai; Hippolyte Personne; Thilo Köhler; Christian van Delden; Jean-Louis Reymond
Published in: Chemical Science, Issue 12(26), 2021, Page(s) 9221-9232, ISSN 2041-6539
Publisher: Royal Society of Chemistry
DOI: 10.1039/d1sc01713f

Navigating a 1E+60 Chemical Space of Peptide/Peptoid Oligomers

Author(s): Markus Orsi, Jean‐Louis Reymond
Published in: Molecular Informatics, Issue 44, 2025, ISSN 1868-1743
Publisher: Wiley - VCH Verlag GmbH & CO. KGaA
DOI: 10.1002/minf.202400186

Inverse Polyamidoamine (i-PAMAM) Dendrimer Antimicrobials

Author(s): Bonvin, Etienne; Reymond, Jean-Louis
Published in: Helvetica Chemica Acta, Issue Volume 106, Issue 6, 2023, Page(s) n/a, ISSN 1522-2675
Publisher: Wiley VCH
DOI: 10.5281/zenodo.7839868

A mixed chirality α-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography

Author(s): Stéphane Baeriswyl; Hippolyte Personne; Ivan Di Bonaventura; Thilo Köhler; Christian van Delden; Achim Stocker; Sacha Javor; Jean-Louis Reymond
Published in: RSC chemical biology, Issue 2(6), 2021, Page(s) 1608-1617, ISSN 2633-0679
Publisher: Royal Society of Chemistry
DOI: 10.1039/d1cb00124h

Antimicrobial Peptide‐Peptoid Macrocycles from the Polymyxin B2 Chemical Space

Author(s): Etienne Bonvin, Markus Orsi, Thierry Paschoud, Ashvin Gopalasingam, Jérémie Reusser, Thilo Köhler, Christian van Delden, Jean‐Louis Reymond
Published in: Angewandte Chemie, Issue 137, 2025, ISSN 0044-8249
Publisher: Wiley
DOI: 10.1002/ange.202501299

Assigning the Stereochemistry of Natural Products by Machine Learning

Author(s): Markus Orsi, Jean-Louis Reymond
Published in: Biological and Medicinal Chemistry, 2024, ISSN 2573-2293
Publisher: ChemRxiv
DOI: 10.26434/chemrxiv-2024-zz9pw

Maschinelles Lernen zur Vorhersage antibakterieller Aktivität von Ruthenium‐Komplexen**

Author(s): Markus Orsi, Boon Shing Loh, Cheng Weng, Wee Han Ang, Angelo Frei
Published in: Angewandte Chemie, Issue 136, 2025, ISSN 0044-8249
Publisher: Wiley
DOI: 10.1002/ange.202317901

Can Large Language Models Predict Antimicrobial Peptide Activity and Toxicity?

Author(s): Markus Orsi, Jean-Louis Reymond
Published in: RSC Medicinal Chemistry, 2024, ISSN 2632-8682
Publisher: Royal Society of Chemistry
DOI: 10.26434/chemrxiv-2023-74041-v2

Submonomer Synthesis of Inverse Polyamidoamine (i‐PAMAM) Dendrimer Antibacterials

Author(s): Hippolyte Personne, Xiaoling Hu, Etienne Bonvin, Jérémie Reusser, Jean‐Louis Reymond
Published in: Helvetica Chimica Acta, Issue 107, 2024, ISSN 0018-019X
Publisher: Verlag Helvetica Chimica Acta
DOI: 10.1002/hlca.202400041

Stereorandomized Oncocins with Preserved Ribosome Binding and Antibacterial Activity

Author(s): Bee Ha Gan, Etienne Bonvin, Thierry Paschoud, Hippolyte Personne, Jérémie Reusser, Xingguang Cai, Robert Rauscher, Thilo Köhler, Christian van Delden, Norbert Polacek, Jean-Louis Reymond
Published in: Journal of Medicinal Chemistry, Issue 67, 2024, Page(s) 19448-19459, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.4c01768

Antimicrobial Peptide–Peptoid Hybrids with and without Membrane Disruption

Author(s): Etienne Bonvin; Hippolyte Personne; Thierry Paschoud; Jérémie Reusser; Bee-Ha Gan; Alexandre Luscher; Thilo Köhler; Christian van Delden; Jean-Louis Reymond
Published in: ACS Infectious Diseases, Issue Volume 9, Issue 12, 2023, Page(s) 2593-2606, ISSN 2373-8227
Publisher: American Chemical Society
DOI: 10.1021/acsinfecdis.3c00421

Machine Learning Guided Discovery of Non-Hemolytic Membrane Disruptive Anticancer Peptides

Author(s): E. Zakharova, Markus Orsi, A. Capecchi, J.-L. Reymond
Published in: ChemMedChem, 2022, ISSN 1860-7187
Publisher: Wiley
DOI: 10.1002/cmdc.202200291

ELECTRUM: An Electron Configuration-based Universal Metal Fingerprint for Transition Metal Compounds

Author(s): Angelo Frei, Markus Orsi
Published in: Inorganic Chemistry, 2024, ISSN 2573-2293
Publisher: ChemRxiv
DOI: 10.26434/chemrxiv-2024-vqktn

Alchemical analysis of FDA approved drugs

Author(s): Markus Orsi; Daniel Probst; Philippe Schwaller; Jean-Louis Reymond
Published in: Orsi, Markus; Probst, Daniel; Schwaller, Philippe; Reymond, Jean-Louis (2023). Alchemical analysis of FDA approved drugs. Digital discovery, 2(5), pp. 1289-1296. Royal Society of Chemistry 10.1039/d3dd00039g <http://dx.doi.org/10.1039/d3dd00039g>, Issue Issue 5, 2023, Page(s) n/a, ISSN 2635-098X
Publisher: Royal Society of Chemistry
DOI: 10.1039/d3dd00039g

Inverse Polyamidoamine (i‐PAMAM) Dendrimer Antimicrobials

Author(s): Etienne Bonvin; Jean‐Louis Reymond
Published in: Helvetica Chimica Acta, Issue 1, 2023, Page(s) e202300035, ISSN 1522-2675
Publisher: Wiley-VHCA
DOI: 10.1002/hlca.202300035

Chemical Space for Peptide-based Antimicrobials

Author(s): Markus Orsi, Hippolyte Personne, Etienne Bonvin, Thierry Paschoud, Basak Olcay, Xiaoling Hu, Sacha Javor, Jean-Louis Reymond
Published in: CHIMIA, Issue 78, 2024, Page(s) 648-653, ISSN 0009-4293
Publisher: Schweizerische Chemische Gedellschaft
DOI: 10.2533/chimia.2024.648

To Fold or Not to Fold: Diastereomeric Optimization of an α-Helical Antimicrobial Peptide

Author(s): Personne, Hippolyte; Paschoud, Thierry; Fulgencio, Sofia; Baeriswyl, Stéphane; Köhler, Thilo; van Delden, Christian; Stocker, Achim; Javor, Sacha; Reymond, Jean-Louis
Published in: Journal of Medicinal Chemistry, Issue 66, 2023, 2023, Page(s) 7570-7583, ISSN 1520-4804
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.3c00460

Exploring the Sequence Space of Antimicrobial Peptide Dendrimers

Author(s): Xingguang Cai; Alice Capecchi; Basak Olcay; Markus Orsi; Sacha Javor; Jean‐Louis Reymond
Published in: Israel Journal of Chemistry, Issue Volume 63, Issue 10-11, 2023, Page(s) n/a, ISSN 0021-2148
Publisher: Laser Pages Publishing Ltd.
DOI: 10.1002/ijch.202300096

Dipropylamine for 9-Fluorenylmethyloxycarbonyl (Fmoc) Deprotection with Reduced Aspartimide Formation in Solid-Phase Peptide Synthesis

Author(s): Personne, Hippolyte; Siriwardena, Thissa N; Javor, Sacha; Reymond, Jean-Louis
Published in: ACS Omega, Issue 8, 2023, 2023, Page(s) 5050-5056, ISSN 2470-1343
Publisher: American Chemical Society
DOI: 10.1021/acsomega.2c07861

One chiral fingerprint to find them all

Author(s): Markus Orsi, Jean-Louis Reymond
Published in: Journal of Cheminformatics, Issue 16, 2024, ISSN 1758-2946
Publisher: Chemistry Central
DOI: 10.1186/s13321-024-00849-6

The antibacterial activity of peptide dendrimers and polymyxin B increases sharply above pH 7.4

Author(s): Xingguang Cai; Sacha Javor; Bee Ha Gan; Thilo Köhler; Jean-Louis Reymond
Published in: Chemical communications, Issue 57(46), 2021, Page(s) 5654-5657, ISSN 1359-7345
Publisher: Royal Society of Chemistry
DOI: 10.1039/d1cc01838h

An intrinsically disordered antimicrobial peptide dendrimer from stereorandomized virtual screening.

Author(s): Xingguang Cai; Markus Orsi; Alice Capecchi; Thilo Köhler; Christian van Delden; Sacha Javor; Jean-Louis Reymond
Published in: Cell Reports Physical Sciences, Issue 3, 2022, Page(s) 101161, ISSN 2666-3864
Publisher: Elsevier
DOI: 10.48350/177350