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TitleSpiro-containing derivatives show antiparasitic activity against Trypanosoma brucei through inhibition of the trypanothione reductase enzyme.
Journal, issue, pagesPlos Negl Trop Dis, Vol. 14, Page e0008339-e0008339, Year 2020
Publish dateApr 9, 2019 (structure data deposition date)
AuthorsTurcano, L. / Battista, T. / De Haro, E.T. / Missineo, A. / Alli, C. / Paonessa, G. / Colotti, G. / Harper, S. / Fiorillo, A. / Ilari, A. / Bresciani, A.
External linksPlos Negl Trop Dis / PubMed:32437349
MethodsX-ray diffraction
Resolution1.977 Å
Structure data

PDB-6rb5:
Trypanothione reductase in complex with 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide
Method: X-RAY DIFFRACTION / Resolution: 1.977 Å

Chemicals

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-SO4:
SULFATE ION

ChemComp-JWZ:
4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • trypanosoma brucei (eukaryote)
KeywordsOXIDOREDUCTASE / TRYPANOTHIONE METABOLISM / ANTIOXIDANT / TRYPANOSOMA BRUCEI

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