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TitleMolecular mechanism of a triazole-containing inhibitor of DNA gyrase.
Journal, issue, pagesiScience, Vol. 27, Issue 10, Page 110967, Year 2024
Publish dateOct 18, 2024
AuthorsAntoine Gedeon / Emilie Yab / Aurelia Dinut / Elodie Sadowski / Estelle Capton / Aurore Dreneau / Julienne Petit / Bruna Gioia / Catherine Piveteau / Kamel Djaout / Estelle Lecat / Anne Marie Wehenkel / Francesca Gubellini / Ariel Mechaly / Pedro M Alzari / Benoît Deprez / Alain Baulard / Alexandra Aubry / Nicolas Willand / Stéphanie Petrella /
PubMed AbstractAntimicrobial resistance remains a persistent and pressing public health concern. Here, we describe the synthesis of original triazole-containing inhibitors targeting the DNA gyrase, a well-validated ...Antimicrobial resistance remains a persistent and pressing public health concern. Here, we describe the synthesis of original triazole-containing inhibitors targeting the DNA gyrase, a well-validated drug target for developing new antibiotics. Our compounds demonstrate potent antibacterial activity against various pathogenic bacteria, with notable potency against (). Moreover, one hit, compound , named BDM71403, was shown to be more potent in than the NBTI of reference, gepotidacin. Mechanistic enzymology assays reveal a competitive interaction of BDM71403 with fluoroquinolones within the gyrase cleavage core. High-resolution cryo-electron microscopy structural analysis provides detailed insights into the ternary complex formed by the gyrase, double-stranded DNA, and either BDM71403 or gepotidacin, providing a rational framework to understand the superior efficacy on . This study highlights the potential of triazole-based scaffolds as promising gyrase inhibitors, offering new avenues for drug development in the fight against antimicrobial resistance.
External linksiScience / PubMed:39429773 / PubMed Central
MethodsEM (single particle)
Resolution2.8 - 3.2 Å
Structure data

19777

8s7k

EMDB-19777, PDB-8s7k:
M. tuberculosis gyrase holocomplex with 150 bp DNA and gepotidacin
Method: EM (single particle) / Resolution: 3.2 Å

19782

8s7o

EMDB-19782, PDB-8s7o:
M. tuberculosis gyrase holocomplex with 150 bp DNA and BDM71403
Method: EM (single particle) / Resolution: 2.8 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-JHN:
(3~{R})-3-[[4-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione

PDB-1h5q:
Mannitol dehydrogenase from Agaricus bisporus

Source
  • mycobacterium tuberculosis (bacteria)
  • synthetic construct (others)
KeywordsDNA BINDING PROTEIN / Mycobacterium tuberculosis / DNA gyrase / Novel Bacterial Topoisomerase II Inhibitors / antibiotic resistance / structure-activity relation

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