Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay

A multi-step cascade strategy using integrated ligand- and target-based virtual screening methods was developed to select a small number of compounds from the ZINC database to be evaluated for trypanocidal activity. Winnowing the database to 23 selected compounds, 12 non-covalent binding cruzain inh...

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Bibliografiske detaljer
Main Authors: Wiggers, Helton J., Rocha, Josmar R., Fernandes, William B., Sesti-Costa, Renata, Carneiro, Zumira A., Cheleski, Juliana, da Silva, Albérico B. F., Juliano, Luiz, Cezari, Maria H. S., Silva, João S., McKerrow, James H., Montanari, Carlos A.
Format: Artigo
Sprog:Inglês
Udgivet: Public Library of Science 2013
Fag:
Research Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3750009/
https://ncbi.nlm.nih.gov/pubmed/23991231
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pntd.0002370
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