Fig. 7: Experimental validation.
From: AI-guided few-shot inverse design of HDP-mimicking polymers against drug-resistant bacteria
a Synthesis of host defense peptides-mimicking β-amino acid polymers DMxiPeny (x + y = 1, y = 0–0.5), R represents the side chain from one of the starting monomers of DM and iPen. b Gel permeation chromatography (GPC) traces of N-Boc-protected DMxiPeny. c Proton nuclear magnetic resonance (1H NMR) characterization of N-Boc-deprotected DMxiPeny. H1, H2 and H3 represent the characteristic peaks from iPen component within polymers. d Hemolysis of polymers against human red blood cells (hRBCs). HC50 means the minimum concentration to cause 50% hemolysis. e Cytotoxicity of polymers against Human umbilical vein endothelial cell line (HUVEC) cells. IC50 means the minimum concentration to cause 50% inhibition. f Cytotoxicity of polymers against African green monkey kidney fibroblasts (COS7) cells. g–i Selectivity index (SI) of the optimal polymer DM0.8iPen0.2 calculated from HC50/MIC against hRBCs, IC50/MIC against HUVEC cells and COS7 cells. MIC means the minimum inhibitory concentration.
