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Optimizing Antimicrobial Peptide Dendrimers in Chemical Space

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Author Siriwardena Thissa N., Capecchi Alice, Gan Bee-Ha, Jin Xian, He Runze, Wei Dengwen, Ma Lan, Köhler Thilo, van Delden Christian, Javor Sacha, Reymond Jean-Louis,
Project Controlling multi-antibiotic resistant bacteria with antimicrobial peptide dendrimers (AMPD)
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Original article (peer-reviewed)

Journal Angewandte Chemie International Edition
Volume (Issue) 57(28)
Page(s) 8483 - 8487
Title of proceedings Angewandte Chemie International Edition
DOI 10.1002/anie.v57.28

Open Access


We used nearest‐neighbor searches in chemical space to improve the activity of the antimicrobial peptide dendrimer (AMPD) G3KL and identified dendrimer T7, which has an expanded activity range against Gram‐negative pathogenic bacteria including Klebsiellae pneumoniae, increased serum stability, and promising activity in an in vivo infection model against a multidrug‐resistant strain of Acinetobacter baumannii. Imaging, spectroscopic studies, and a structural model from molecular dynamics simulations suggest that T7 acts through membrane disruption. These experiments provide the first example of using virtual screening in the field of dendrimers and show that dendrimer size does not limit the activity of AMPDs.