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- W4386810016 abstract "Discovery of novel antibiotics needs multidisciplinary approaches to gain target enzyme and bacterial activities while aiming for selectivity over mammalian cells. Here, we report a multiparameter optimisation of a fragment-like hit that was identified through a structure-based virtual-screening campaign on Escherichia coli IspE crystal structure. Subsequent medicinal-chemistry design resulted in a novel class of E. coli IspE inhibitors, exhibiting activity also against the more pathogenic bacteria Pseudomonas aeruginosa and Acinetobacter baumannii. While cytotoxicity remains a challenge for the series, it provides new insights on the molecular properties for balancing enzymatic target and bacterial activities simultaneously as well as new starting points for the development of IspE inhibitors with a predicted new mode of action." @default.
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- W4386810016 date "2023-09-28" @default.
- W4386810016 modified "2023-09-30" @default.
- W4386810016 title "Exploring the translational gap of a novel class of Escherichia coli IspE inhibitors" @default.
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- W4386810016 doi "https://doi.org/10.1002/cmdc.202300346" @default.
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