• Find protein target for existing anti-TB compunds.
    • These can then be used for further drug discovery and to understand key metabolic/signalling pathways in Mycobacterium tuberculosis.
    • Compunds that are shown to inhibit these targets can be developed into anti-TB drugs.
  • Find novel inhibitors for target proteins of interest.
    • Each target protein will be searched by all available compunds.
    • Resarchers interested in specific proteins will find potential inhibitors in our results lists.
    • Once validated, these could provide the basis for novel drug discovery.
Work in progress.
ChEMBL_Bioassays: ChEMBL Bioassays database was searched for compounds shown to inhibit Mycobacterium tuberculosis (any strain) at MIC < 1 microMolar in whole cell assays. [1,358]
The TB genome contains 4007 proteins.
  • Models were created for 64% of the proteome by Sir Tom Blundell's lab (Chopin).
    Models with score "good" or better (i.e. not coded _0 or _1) were selected. [2,580]