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.
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Why is it important?
Double targeting of these essential targets may be more valuable and we show it is possible.
Perspectives
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.
Dr Sean Ekins
Collaborations in Chemistry
Read the Original
This page is a summary of: A phenotypic based target screening approach delivers new antitubercular CTP synthetase inhibitors, ACS Infectious Diseases, May 2017, American Chemical Society (ACS),
DOI: 10.1021/acsinfecdis.7b00006.
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