Functional, thermodynamics, structural and biological studies of in silico-identified inhibitors of Mycobacterium tuberculosis enoyl-ACP(CoA) reductase enzyme

Novel chemotherapeutics agents are needed to kill Mycobacterium tuberculosis, the main causative agent of tuberculosis (TB). The M. tuberculosis 2-trans-enoyl-ACP(CoA) reductase enzyme (MtInhA) is the druggable bona fide target of isoniazid. New chemotypes were previously identified by two in silico...

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Udgivet i:Sci Rep
Main Authors: Martinelli, Leonardo K. B., Rotta, Mariane, Villela, Anne D., Rodrigues-Junior, Valnês S., Abbadi, Bruno L., Trindade, Rogério V., Petersen, Guilherme O., Danesi, Giuliano M., Nery, Laura R., Pauli, Ivani, Campos, Maria M., Bonan, Carla D., de Souza, Osmar Norberto, Basso, Luiz A., Santos, Diogenes S.
Format: Artigo
Sprog:Inglês
Udgivet: Nature Publishing Group 2017
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Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5402281/
https://ncbi.nlm.nih.gov/pubmed/28436453
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep46696
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