Please use this identifier to cite or link to this item: https://cris.library.msu.ac.zw//handle/11408/4902
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dc.contributor.authorRebollo-Lopez, María Jose-
dc.contributor.authorLelièvre, Joël-
dc.contributor.authorAlvarez-Gomez, Daniel-
dc.contributor.authorCastro-Piche, Julia-
dc.contributor.authorMartínez-Jiménez, Francisco-
dc.contributor.authorPapadatos, George-
dc.contributor.authorKumar, Vinod-
dc.contributor.authorColmenarejo, Gonzalo-
dc.contributor.authorMugumbate, Grace-
dc.contributor.authorHurle, Mark-
dc.contributor.authorBarroso, Vanessa-
dc.contributor.authorYoung, Rob J-
dc.contributor.authorMartinez-Hoyos, María-
dc.contributor.authorGonzález del Río, Rubén-
dc.contributor.authorBates, Robert H-
dc.contributor.authorLopez-Roman, Eva Maria-
dc.contributor.authorMendoza-Losana, Alfonso-
dc.contributor.authorBrown, James R-
dc.contributor.authorAlvarez-Ruiz, Emilio-
dc.contributor.authorMarti-Renom, Marc A-
dc.contributor.authorOverington, John P-
dc.contributor.authorCammack, Nicholas-
dc.contributor.authorBallell, Lluís-
dc.contributor.authorBarros-Aguire, David-
dc.date.accessioned2022-06-28T09:46:28Z-
dc.date.available2022-06-28T09:46:28Z-
dc.date.issued2015-
dc.identifier.citationRebollo-Lopez MJ, Lelièvre J, Alvarez-Gomez D, Castro-Pichel J, Martínez-Jiménez F, Papadatos G, et al. (2015) Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery. PLoS ONE 10(12): e0142293. https://doi.org/10.1371/journal.pone.0142293en_US
dc.identifier.issn1932-6203-
dc.identifier.urihttps://doi.org/10.1371/journal.pone.0142293-
dc.identifier.urihttp://hdl.handle.net/11408/4902-
dc.description.abstractAs 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 compounds were further prioritized based on not only antitubercular potency but also on physicochemical characteristics. The 50 most attractive compounds were then progressed for evaluation in three different predictive computational biology algorithms based on structural similarity or GSK historical biological assay data in order to determine their possible mechanisms of action. This effort has resulted in the identification of novel compounds and their hypothesized targets that will hopefully fuel future TB drug discovery and target validation programs alike.en_US
dc.language.isoenen_US
dc.publisherPublic Library of Scienceen_US
dc.relation.ispartofseriesPLoS ONE;10(12)-
dc.subjectMycobacterium tuberculosisen_US
dc.subjectPurine metabolismen_US
dc.subjectTuberculosis drug discoveryen_US
dc.subjectTuberculosisen_US
dc.subjectMetabolic pathways en_US
dc.titleRelease of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discoveryen_US
dc.typeArticleen_US
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.fulltextWith Fulltext-
item.languageiso639-1en-
item.grantfulltextopen-
item.openairetypeArticle-
item.cerifentitytypePublications-
Appears in Collections:Research Papers
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