Computational approaches towards the discovery and optimisation of cruzain inhibitors.
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ABSTRACT:
SUBMITTER: Santos VC
PROVIDER: S-EPMC8925305 | biostudies-literature | 2022
REPOSITORIES: biostudies-literature
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Computational approaches towards the discovery and optimisation of cruzain inhibitors.
Santos Viviane Corrêa VC Ferreira Rafaela Salgado RS
Memorias do Instituto Oswaldo Cruz 20220316
The need to develop safer and more efficacious drugs to treat Chagas disease has motivated the search for cruzain inhibitors. Cruzain is the recombinant, truncated version of cruzipain, a cysteine protease from Trypanosoma cruzi with important roles during the parasite life cycle. Several computational techniques have been applied to discover and optimise cruzain inhibitors, providing a molecular basis to guide this process. Here, we review some of the most recent computational studies that prov ...[more]
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