Malaria and other neglected diseases are a serious concern of the developing world.  In this presentation, public domain databases will be discussed in the context of determining potential targets and discovering new drugs for these diseases.  The presentation will also showcase a tutorial on how to use specific computational tools to perform virtual screening of a catalogue of commercial compounds by applying a predictive model, and prioritizing compounds based on structural similarity to known actives.  Those attending the presentation will become familiar with using the database servers ChEMBL, ZINC, BindingDB, and Reactome, as well as the pipeline software suite KNIME.

OpenEye Award: Public domain chemical databases for neglected disease drug discovery

245th National Meeting (2013)

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