A multitarget approach to drug discovery inhibiting Mycobacterium tuberculosis PyrG and PanK View Full Text


Ontology type: schema:ScholarlyArticle      Open Access: True


Article Info

DATE

2018-12

AUTHORS

Laurent R. Chiarelli, Giorgia Mori, Beatrice Silvia Orena, Marta Esposito, Thomas Lane, Ana Luisa de Jesus Lopes Ribeiro, Giulia Degiacomi, Júlia Zemanová, Sára Szádocka, Stanislav Huszár, Zuzana Palčeková, Marcello Manfredi, Fabio Gosetti, Joël Lelièvre, Lluis Ballell, Elena Kazakova, Vadim Makarov, Emilio Marengo, Katarina Mikusova, Stewart T. Cole, Giovanna Riccardi, Sean Ekins, Maria Rosalia Pasca

ABSTRACT

Mycobacterium tuberculosis, the etiological agent of the infectious disease tuberculosis, kills approximately 1.5 million people annually, while the spread of multidrug-resistant strains is of great global concern. Thus, continuous efforts to identify new antitubercular drugs as well as novel targets are crucial. Recently, two prodrugs activated by the monooxygenase EthA, 7947882 and 7904688, which target the CTP synthetase PyrG, were identified and characterized. In this work, microbiological, biochemical, and in silico methodologies were used to demonstrate that both prodrugs possess a second target, the pantothenate kinase PanK. This enzyme is involved in coenzyme A biosynthesis, an essential pathway for M. tuberculosis growth. Moreover, compound 11426026, the active metabolite of 7947882, was demonstrated to directly inhibit PanK, as well. In an independent screen of a compound library against PyrG, two additional inhibitors were also found to be active against PanK. In conclusion, these direct PyrG and PanK inhibitors can be considered as leads for multitarget antitubercular drugs and these two enzymes could be employed as a "double-tool" in order to find additional hit compounds. More... »

PAGES

3187

References to SciGraph publications

  • 2007-01. Multi-targeting by monotherapeutic antibacterials in NATURE REVIEWS DRUG DISCOVERY
  • Identifiers

    URI

    http://scigraph.springernature.com/pub.10.1038/s41598-018-21614-4

    DOI

    http://dx.doi.org/10.1038/s41598-018-21614-4

    DIMENSIONS

    https://app.dimensions.ai/details/publication/pub.1101008562

    PUBMED

    https://www.ncbi.nlm.nih.gov/pubmed/29453370


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