Dynamic combinatorial chemistry to identify binders of ThiT, an S-component of the energy-coupling factor transporter for thiamin was written by Monjas, Leticia;Swier, Lotteke J. Y. M.;Setyawati, Inda;Slotboom, Dirk J.;Hirsch, Anna K. H.. And the article was included in ChemMedChem in 2017.Reference of 19432-68-9 This article mentions the following:
We applied dynamic combinatorial chem. (DCC) to identify ligands of ThiT, the S-component of the energy-coupling factor (ECF) transporter for thiamin 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 1st report in which DCC has been used for fragment growing to an ill-defined pocket, and one of the 1st reports for its application with an integral membrane protein as target. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Reference of 19432-68-9).
Methyl 2-thienylacetate (cas: 19432-68-9) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Reference of 19432-68-9
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics