Trypanothione reductase (TryR) is one of the favorite targets for those designing drugs for the treatment of Chagas disease. We present the application of a fast virtual screening approach for designing hit compounds active against TryR. Our protocol combines information derived from structurally known inhibitors and from the TryR receptor structure. Five structurally diverse hit compounds active against TryR and holding promise for the treatment of Chagas disease are reported.
Maccari, G., Jaeger, T., Moraca, F., Biava, M., Flohé, L., Botta, M. (2011). A fast virtual screening approach to identify structurally diverse inhibitors of trypanothione reductase. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 21(18), 5255-5258 [10.1016/j.bmcl.2011.07.036].
A fast virtual screening approach to identify structurally diverse inhibitors of trypanothione reductase
Maccari, Giorgio;Moraca, Francesca;Botta, Maurizio
2011-01-01
Abstract
Trypanothione reductase (TryR) is one of the favorite targets for those designing drugs for the treatment of Chagas disease. We present the application of a fast virtual screening approach for designing hit compounds active against TryR. Our protocol combines information derived from structurally known inhibitors and from the TryR receptor structure. Five structurally diverse hit compounds active against TryR and holding promise for the treatment of Chagas disease are reported.
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https://hdl.handle.net/11365/2653
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