Development of a Novel Virtual Screening Cascade Protocol to Identify Potential Trypanothione Reductase Inhibitors

[Image: see text] The implementation of a novel sequential computational approach that can be used effectively for virtual screening and identification of prospective ligands that bind to trypanothione reductase (TryR) is reported. The multistep strategy combines a ligand-based virtual screening for...

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Main Authors: Perez-Pineiro, Rolando, Burgos, Asdrubal, Jones, Deuan C., Andrew, Lena C., Rodriguez, Hortensia, Suarez, Margarita, Fairlamb, Alan H., Wishart, David S.
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2009
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2659691/
https://ncbi.nlm.nih.gov/pubmed/19296695
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm801306g
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