Supplementary data to support the following publication (abstract): Dynamic combinatorial chemistry (DCC) is a powerful tool to identify ligands for biological targets. We used 19F NMR as an in situ, non-invasive technique for measuring the composition of a dynamic combinatorial library (DCL) of N-acylhydrazones (NAHs). An NAH DCL, constructed from a fluoro-aromatic aldehyde and a small set of hydrazides, was targetted at ecFabH, an essential enzyme in bacterial fatty acid biosynthesis.
Our NMR analysis identified a tert-butyl NAH as the best binder which was confirmed by enzymatic assay.
Ekstrom, Alexander; Campopiano, Dominic; Wang, Jue Theresa; Bella, Juraj. (2018). Non-invasive 19F NMR analysis of a protein-templated N- acylhydrazone dynamic combinatorial library. OBC 2018, [dataset]. University of Edinburgh. School of Chemistry. https://doi.org/10.7488/ds/2436.