Structural modeling of L-galactonolactone dehydrogenase from Trypanosoma cruzi

A structural model of the Trypanosoma cruzi l-galactonolactone dehydrogenase enzyme, a potential drug target for Chagas disease, is presented. Constructed using a hybrid approach, the model was validated via molecular dynamics, ensemble docking and experimental data (circular dichroism and IC50 values) with good agreement. The model holds promise for virtual screening of new inhibitors.