A phenotypic based target screening approach delivers new antitubercular CTP synthetase inhibitors

  • Marta Esposito, Sára Szadocka, Giulia Degiacomi, Beatrice Silvia Orena, Giorgia Mori, Valentina Piano, Francesca Boldrin, Julia Zemanova, Stanislav Huszár, David Barros, Sean Ekins, Joël Lelièvre, Riccardo Manganelli, Andrea Mattevi, Maria Rosalia Pasca, Giovanna Riccardi, Lluis Ballell, Katarína Mikušová, Laurent R. Chiarelli
  • ACS Infectious Diseases, May 2017, American Chemical Society (ACS)
  • DOI: 10.1021/acsinfecdis.7b00006

Multi targeting PyrG and PanK in TB

What is it about?

We used docking to score and select compounds for testing against PanK in tuberculosis. We found molecules that are selective and that inhibit both.

Why is it important?

Double targeting of these essential targets may be more valuable and we show it is possible.

Perspectives

Dr Sean Ekins
Collaborations in Chemistry

Initially we found actives against PyrG then we docked these in PanK. The paper also screened a GSK library and we docked these compounds too. All of the compounds had whole cell activity.

Read Publication

http://dx.doi.org/10.1021/acsinfecdis.7b00006

The following have contributed to this page: Dr Sean Ekins