Trypanothione reductase: a target protein for a combined in vitro and in silico screening approach.

• Main Authors: Mathias Beig (Author), Frank Oellien (Author), Linnéa Garoff (Author), Sandra Noack (Author), R Luise Krauth-Siegel (Author), Paul M Selzer (Author)
• Format: Book
• Published: Public Library of Science (PLoS), 2015-01-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

With the goal to identify novel trypanothione reductase (TR) inhibitors, we performed a combination of in vitro and in silico screening approaches. Starting from a highly diverse compound set of 2,816 compounds, 21 novel TR inhibiting compounds could be identified in the initial in vitro screening c...