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Piloting the Membranolytic Activities of Peptides with a Self‐organizing Map |
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| Authors: | Yen‐Chu Lin Dr. Jan A. Hiss Dr. Petra Schneider Peter Thelesklaf Yi Fan Lim Max Pillong Dr. Fabian M. Koehler Prof. Dr. Petra S. Dittrich Prof. Dr. Cornelia Halin Prof. Dr. Silja Wessler Prof. Dr. Gisbert Schneider |
| Affiliation: | 1. Swiss Federal Institute of Technology (ETH), Department of Chemistry and Applied Biosciences, Vladimir‐Prelog‐Weg 4, 8093 Zürich (Switzerland);2. Paris‐Lodron University, Department of Molecular Biology, Division of Microbiology, Billroth Strasse 11, 5020 Salzburg (Austria) |
| Abstract: | Antimicrobial peptides (AMPs) show remarkable selectivity toward lipid membranes and possess promising antibiotic potential. Their modes of action are diverse and not fully understood, and innovative peptide design strategies are needed to generate AMPs with improved properties. We present a de novo peptide design approach that resulted in new AMPs possessing low‐nanomolar membranolytic activities. Thermal analysis revealed an entropy‐driven mechanism of action. The study demonstrates sustained potential of advanced computational methods for designing peptides with the desired activity. |
| Keywords: | drug discovery machine learning membrane interaction peptide design vesicles |