Skip to Main content Skip to Navigation
New interface
Preprints, Working Papers, ...

Targeting the energy-coupling factor (ECF) transporters: identification of new tool compounds

Abstract : The energy-coupling factor (ECF) transporters are a family of transmembrane proteins involved in the uptake of vitamins in a wide range of bacteria. Inhibition of the activity of these proteins could reduce the viability of pathogens that depend on vitamin uptake. Their central role in the metabolism of bacteria and absence in humans make the ECF transporters a potential antibacterial target, which can be further investigated making use of a selective chemical probe. Here, we report on the virtual screening, design, synthesis, structure–activity relationships (SARs) and coarse-grained molecular dynamics simulations of the first class of inhibitors of the ECF transporters. We investigated the mechanism of action of this chemical class and profiled the best hit compounds regarding their pharmaceutical properties. The optimized hit has a minimum inhibitory concentration (MIC) value of 2 µg/mL against Streptococcus pneumoniae, which opens up the possibility to use this chemical class to investigate the role of the ECF transporters in health and disease.
Complete list of metadata
Contributor : Paulo Telles de Souza Connect in order to contact the contributor
Submitted on : Thursday, November 24, 2022 - 11:14:58 PM
Last modification on : Monday, November 28, 2022 - 4:47:37 PM


Files produced by the author(s)




Eleonora Diamanti, Inda Setyawati, Spyridon Bousis, Paulo Souza, Leticia Mojas, et al.. Targeting the energy-coupling factor (ECF) transporters: identification of new tool compounds. 2022. ⟨hal-03864661⟩



Record views


Files downloads