Figure: In silico investigation of cytochrome b, a putative Trypanosoma cruzi target.
Chagas disease is a neglected tropical disease (NTD) and the protozoan Trypanosoma cruzi is the etiological agent. We are working to provide an in silico characterization of the drug-target interaction identified in the course of the project. The physics chemical properties of the candidate compounds will be investigated to gain information about biding energy, potential target space and protein conformational changes.
Funding:
SNF-SINERGIA project “From medicinal plant to mechanism: Target deconvolution of phytochemicals for Trypanosoma cruzi”
The project is carried out by a collaborative network involving the Swiss Tropical and Public Health Institute in Basel, the School of Pharmaceutical Sciences of the University of Geneva, the Dalle Molle Institute for Artificial Intelligence in Manno, and the Institute of Pharmaceutical Sciences of the ETH in Zürich.