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Minus 1a5aa4f1c08b567c9107cba729de26bc87c17ab2b2f690eb45059193a1d6f587 Computational Databases, Pathway and Cheminformatics Tools for Tuberculosis Drug Discovery
Ekins, Sean and Freundlich, Joel S. and Choi, Inhee and Sarker, Malabika and Talcott, Carolyn - 2011 - PDF

We are witnessing the growing menace of both increasing cases of drug-sensitive and drug-resistant Mycobac- terium 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 experi- mental approaches to accelerate TB drug discovery.