What is it about?
In this project we developed a Pathway Genome Databse for T. Cruzi which is publically accessible. We used published data from the Broad Institute to build machine learning models to predict additional compounds. We bough and test ed compounds in vitro. Some of the most active were tested in vivo. Pyronaridine was found to have 85% efficacy in the mouse model of disease.
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Why is it important?
There is no FDA approved drug for Chagas Disease and its becoming a major issue in the south of the USA as well as in South America. Pyronaridine is approved in Europe as an antimalarial and may have a faster rout to the clinic.
Perspectives
The route to discovery of pyronaridine was a highlight. Our machine learning and experimental approaches were able to do this quite quickly. Thus we could take the same approach with other neglected tropical diseases. Identification of pyronaridine is exciting as we have also shown activity against Ebola virus.
Dr Sean Ekins
Collaborations in Chemistry
Read the Original
This page is a summary of: Machine Learning Models and Pathway Genome Data Base for Trypanosoma cruzi Drug Discovery, PLoS Neglected Tropical Diseases, June 2015, PLOS,
DOI: 10.1371/journal.pntd.0003878.
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