Fueling open-source drug discovery: 177 small-molecule leads against tuberculosis

Lluis Ballell, Robert H Bates, Rob J Young, Daniel Alvarez-Gomez, Emilio Alvarez-Ruiz, Vanessa Barroso, Delia Blanco, Benigno Crespo, Jaime Escribano, Ruben Gonzalez, Sonia Lozano, Sophie Huss, Angel Santos-Villarejo, Jose Julio Martin-Plaza, Alfonso Mendoza, Maria Jose Rebollo-Lopez, Modesto Remuinan-Blanco, Jose Luis Lavandera, Esther Perez-Herran, Francisco Javier Gamo-BenitoJose Garcia-Bustos, David Barros, Julia P Castro, Nicholas Cammack

Research output: Contribution to journalArticleResearchpeer-review

202 Citations (Scopus)

Abstract

With the aim of fuelling open-source, translational, early-stage drug discovery activities, the results of the recently completed antimycobacterial phenotypic screening campaign against Mycobacterium bovis BCG with hit confirmation in M. tuberculosis H37Rv were made publicly accessible. A set of 177 potent non-cytotoxic H37Rv hits was identified and will be made available to maximize the potential impact of the compounds toward a chemical genetics/proteomics exercise, while at the same time providing a plethora of potential starting points for new synthetic lead-generation activities. Two additional drug-discovery-relevant datasets are included: a) a drug-like property analysis reflecting the latest lead-like guidelines and b) an early lead-generation package of the most promising hits within the clusters identified.
Original languageEnglish
Pages (from-to)313 - 321
Number of pages9
JournalChemMedChem
Volume8
Issue number2
DOIs
Publication statusPublished - 2013
Externally publishedYes

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