Fueling Open‐Source Drug Discovery: 177 Small‐Molecule Leads against Tuberculosis. Issue 2 (10th January 2013)

• Record Type: Journal Article
• Authors: Ballell, Lluís; Bates, Robert H.; Young, Rob J.; Alvarez‐Gomez, Daniel; Alvarez‐Ruiz, Emilio; Barroso, Vanessa; Blanco, Delia; Crespo, Benigno; Escribano, Jaime; González, Rubén; Lozano, Sonia; Huss, Sophie; Santos‐Villarejo, Angel; Martín‐Plaza, José Julio; Mendoza, Alfonso; Rebollo‐Lopez, María José; Remuiñan‐Blanco, Modesto; Lavandera, José Luis; Pérez‐Herran, Esther; Gamo‐Benito, Francisco Javier; García‐Bustos, José Francisco; Barros, David; Castro, Julia P.; Cammack, Nicholas
• Is Part Of: ChemMedChem. Volume 8:Issue 2(2013:Feb.)
• Page Start: 313
• Page End: 321
• Publication Date: 2013-01-10
• Subjects: Pharmaceutical chemistry -- Periodicals; 615.19005
• DOI: 10.1002/cmdc.201200428
• Languages: English
• ISSNs: 1860-7179

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>With the aim of fuelling open‐source, translational, early‐stage drug discovery activities, the results of the recently completed antimycobacterial phenotypic screening campaign against <italic>Mycobacterium bovis</italic> BCG with hit confirmation in <italic>M. tuberculosis</italic> 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.</p> </abstract>