Lyme disease added to ODDT

lymediseaseIt seemed appropriate to include a new topic to the Open Drug Discovery Teams project: Lyme Disease. After a road trip through New England this summer, seeing signs everywhere warning visitors to be ultra careful not to do anything reckless such as walking anywhere near green foliage, then reading articles about how the disease is actually an underdiagnosed epidemic, it might be time to start thinking of it in the same terms as neglected tropical diseases.

 

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Scaffolding of tuberculosis drugs part 2: adding public data

tbscaff2_gridAs a continuation of the previous post about generating scaffolding schemes to help search for new tuberculosis drugs, the next step is to pose the question: what about known compounds that fit into the structure-activity scheme, but haven’t been tested for activity against TB? As it happens, this question can be answered by scripting in some preexisting functionality. Continue reading