We performed inverse synthesis to create 1152 structural analogs of polymyxin B with modified hydrophilicity and charge properties using OBOC technology. This led to the identification of two promising candidates that provided insights into structure–activity relationships. These compounds maintained high antibacterial activity while expanding the safety window 4–16 times.
W. Zheng, X. Wang, H. Lian, P. Zou, T. Sun, H. Wang and L. Li, Biomater. Sci., 2025, Advance Article , DOI: 10.1039/D5BM00362H
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