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Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery

Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery

As a follow up to the antimycobacterial screening exercise and the release of GSK´s first Tres Cantos Antimycobacterial Set (TCAMS-TB), this paper presents the results of a second antitubercular screening effort of two hundred and fifty thousand compounds recently added to the GSK collection. The co...

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Main Authors: Rebollo-Lopez, María Jose, Lelièvre, Joël, Alvarez-Gomez, Daniel, Castro-Piche, Julia, Martínez-Jiménez, Francisco, Papadatos, George, Kumar, Vinod, Colmenarejo, Gonzalo, Mugumbate, Grace, Hurle, Mark, Barroso, Vanessa, Young, Rob J, Martinez-Hoyos, María, González del Río, Rubén, Bates, Robert H, Lopez-Roman, Eva Maria, Mendoza-Losana, Alfonso, Brown, James R, Alvarez-Ruiz, Emilio, Marti-Renom, Marc A, Overington, John P, Cammack, Nicholas, Ballell, Lluís, Barros-Aguire, David
Format: Article
Language:English
Published: Public Library of Science 2022
Subjects:
Mycobacterium tuberculosis
Purine metabolism
Tuberculosis drug discovery
Tuberculosis
Metabolic pathways 
Online Access:https://doi.org/10.1371/journal.pone.0142293
http://hdl.handle.net/11408/4902
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https://doi.org/10.1371/journal.pone.0142293
http://hdl.handle.net/11408/4902