ChEMBL Resources

Resources:
ChEMBL
|
SureChEMBL
|
ChEMBL-NTD
|
ChEMBL-Malaria
|
The SARfaris: GPCR, Kinase, ADME
|
UniChem
|
DrugEBIlity
|
ECBD

Friday, 11 January 2013

Paper: Fuelling Open-Source Drug Discovery: 177 Small-Molecule Leads against Tuberculosis


As it was announced last year, some of our collaborators in GSK Tres Cantos just published the results of a large antimycobacterial phenotypic screening campaign against Mycobacterium bovis BCG with hit confirmation in M. tuberculosis H37Rv. After the screening and in silico cascade, a set of 177 potent non-cytotoxic H37Rv hits was identified, providing a plethora of diverse potential starting points for new synthetic lead-generation activities to the global scientific community.

The dataset is hosted in ChEMBL and can be downloaded from here with a short description here.

%T Fueling Open-Source Drug Discovery: 177 Small-Molecule Leads against Tuberculosis
%A L. Ballell
%A R.H. Bates
%A R.J. Young
%A D. Alvarez-Gomez
%A E. Alvarez-Ruiz
%A V. Barroso
%A D. Blanco
%A B. Crespo
%A J. Escribano
%A R. González
%A S. Lozano
%A S. Huss
%A A. Santos-Villarejo
%A J.J. Martín-Plaza
%A A. Mendoza
%A M.J. Rebollo-Lopez
%A M. Remuiñan-Blanco
%A J.L. Lavandera
%A E. Pérez-Herran
%A F.J. Gamo-Benito
%A J.F. García-Bustos
%A D. Barros
%A J.P. Castro
%A N. Cammack
%J ChemMedChem
%O http://dx.doi.org/10.1002/cmdc.201200428

George

No comments: