Dynamic combinatorial chemistry to identify binders of ThiT, an S-component of the energy-coupling factor transporter for thiamine

Leticia Monjas, Lotteke J Y M Swier, Inda Setyawati, Dirk Jan Slotboom, Anna Katharina Herta Hirsch

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Abstract

We applied dynamic combinatorial chemistry (DCC) to identify ligands of ThiT, the S-component of the energy-coupling factor (ECF) transporter for thiamine in Lactococcus lactis. We used a pre-equilibrated dynamic combinatorial library (DCL) and saturation-transfer difference (STD) NMR spectroscopy to identify ligands of ThiT. This is the first report in which DCC is used for fragment growing to an ill-defined pocket, and one of the first reports for its application with an integral membrane protein as target.

Original languageEnglish
Pages (from-to)1693-1696
Number of pages4
JournalChemMedChem
Volume12
Issue number20
DOIs
Publication statusPublished - 20-Oct-2017

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