Background:
In recent years, there has been an improvement in the in vitro and in vivo
methodology for the screening of anti-chagasic compounds. Millions of compounds can now have
their activity evaluated (in large compound libraries) by means of high throughput in vitro
screening assays.
Objective:
Current approaches to drug discovery for Chagas disease.
Method:
This review article examines the contribution of these methodological advances in
medicinal chemistry in the last four years, focusing on Trypanosoma cruzi infection, obtained from
the PubMed, Web of Science, and Scopus databases.
Results:
Here, we have shown that the promise is increasing each year for more lead compounds
for the development of a new drug against Chagas disease.
Conclusion:
There is increased optimism among those working with the objective to find new drug
candidates for optimal treatments against Chagas disease.
Protein-ligand free energies of binding from full-protein DFT calculations: convergence and choice of exchange-correlation functional
