TY - JOUR T1 - The Mycobacterium tuberculosis Drugome and Its Polypharmacological Implications A1 - Kinnings, Sarah L. A1 - Xie, Li A1 - Fung, Kingston H. A1 - Jackson, Richard M. A1 - Xie, Lei A1 - Bourne, Philip E. Y1 - 2010/11/04 N2 - Author Summary The worldwide increase in multi-drug resistant TB poses a great threat to human health and highlights the need to identify new anti-tubercular agents. We have developed a computational strategy to link the structural proteome of Mycobacterium tuberculosis, the causative agent of tuberculosis, to all structurally characterized approved drugs, and hence construct a proteome-wide drug-target network – the TB-drugome. The TB-drugome has the potential to be a valuable resource in the development of safe and efficient anti-tubercular drugs. More generally, the proteome-wide and multi-scale view of target and drug space may facilitate a systematic drug discovery process, which concurrently takes into account the disease mechanism and druggability of targets, the drug-likeness and ADMET properties of chemical compounds, and the genetic dispositions of individuals. Ultimately it may help to reduce the high attrition rate in drug development through a better understanding of drug-receptor interactions on a large scale. JF - PLOS Computational Biology JA - PLOS Computational Biology VL - 6 IS - 11 UR - https://doi.org/10.1371/journal.pcbi.1000976 SP - e1000976 EP - PB - Public Library of Science M3 - doi:10.1371/journal.pcbi.1000976 ER -