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Identification of inhibitors targeting the energy-coupling factor (ECF) transporters

Authors :
Eleonora Diamanti
Paulo C. T. Souza
Inda Setyawati
Spyridon Bousis
Leticia Monjas
Lotteke J.Y.M. Swier
Atanaz Shams
Aleksei Tsarenko
Weronika K. Stanek
Manuel Jäger
Siewert J. Marrink
Dirk J. Slotboom
Anna K. H. Hirsch
Source :
Communications Biology, Vol 6, Iss 1, Pp 1-8 (2023)
Publication Year :
2023
Publisher :
Nature Portfolio, 2023.

Abstract

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. The central role of vitamin transport in the metabolism of bacteria and absence from humans make the ECF transporters an attractive target for inhibition with selective chemical probes. Here, we report on the identification of a promising class of inhibitors of the ECF transporters. We used coarse-grained molecular dynamics simulations on Lactobacillus delbrueckii ECF-FolT2 and ECF-PanT to profile the binding mode and mechanism of inhibition of this novel chemotype. The results corroborate the postulated mechanism of transport and pave the way for further drug-discovery efforts.

Subjects

Subjects :
Biology (General)
QH301-705.5

Details

Language :
English
ISSN :
23993642
Volume :
6
Issue :
1
Database :
Directory of Open Access Journals
Journal :
Communications Biology
Publication Type :
Academic Journal
Accession number :
edsdoj.b7fa63baaae402daad67c5aaefc6bbd
Document Type :
article
Full Text :
https://doi.org/10.1038/s42003-023-05555-x