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Computational databases, pathway and cheminformatics tools for tuberculosis drug discovery Ekins S; Freundlich JS; Choi I; Sarker M; Talcott CTrends Microbiol 2011[Feb]; 19 (2): 65-74We are witnessing the growing menace of both increasing cases of drug-sensitive and drug-resistant Mycobacterium tuberculosis strains and the challenge to produce the first new tuberculosis (TB) drug in well over 40 years. The TB community, having invested in extensive high-throughput screening efforts, is faced with the question of how to optimally leverage these data to move from a hit to a lead to a clinical candidate and potentially, a new drug. Complementing this approach, yet conducted on a much smaller scale, cheminformatic techniques have been leveraged and are examined in this review. We suggest that these computational approaches should be optimally integrated within a workflow with experimental approaches to accelerate TB drug discovery.|*Drug Discovery[MESH]|Antitubercular Agents/*chemistry/*pharmacology[MESH]|Databases, Factual[MESH]|High-Throughput Screening Assays[MESH]|Humans[MESH]|Mycobacterium tuberculosis/drug effects[MESH] |
