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Literature summary for 1.8.1.12 extracted from
- Febrifugine analogues as Leishmania donovani trypanothione reductase inhibitors binding energy analysis assisted by molecular docking, ADMET and molecular dynamics simulation (2017), J. Biomol. Struct. Dyn., 35, 141-158 .
Crystallization (Commentary)
| Crystallization (Comment) | Organism |
|---|---|
| molecular docking of series of febrifugine analogues to identify putative inhibitors | Leishmania donovani |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| 6-chloro-3-[3-(3-hydroxy-2-piperidyl)-2-oxo-propyl]-7-(4-pyridyl) quinazolin-4-one | febrifugine analogue, putative inhibitor identified by molecular docking | Leishmania donovani |  |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Leishmania donovani | - |
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Release 2023.1 (January 2023)
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