Repositioned Drugs for Chagas Disease Unveiled via Structure-Based Drug Repositioning.

ABSTRACT: Chagas disease, caused by the parasite Trypanosoma cruzi, affects millions of people in South America. The current treatments are limited, have severe side effects, and are only partially effective. Drug repositioning, defined as finding new indications for already approved drugs, has the potential to provide new therapeutic options for Chagas. In this work, we conducted a structure-based drug repositioning approach with over 130,000 3D protein structures to identify drugs that bind therapeutic Chagas targets and thus represent potential new Chagas treatments. The screening yielded over 500 molecules as hits, out of which 38 drugs were prioritized following a rigorous filtering process. About half of the latter were already known to have trypanocidal activity, while the others are n

SUBMITTER: Adasme MF 

PROVIDER: S-EPMC7699892 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature