Non-peptidic cruzain inhibitors with trypanocidal activity discovered by virtual screening and in vitro assay.

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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Bibliographic Details
Main Authors: Helton J Wiggers, Josmar R Rocha, William B Fernandes, Renata Sesti-Costa, Zumira A Carneiro, Juliana Cheleski, Albérico B F da Silva, Luiz Juliano, Maria H S Cezari, João S Silva, James H McKerrow, Carlos A Montanari
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2013-01-01
Series:PLoS Neglected Tropical Diseases
Online Access:http://europepmc.org/articles/PMC3750009?pdf=render

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http://europepmc.org/articles/PMC3750009?pdf=render

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