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TitleScaffold hopping identifies new triazole-and triazolium-based inhibitors of Leishmania infantum Trypanothione Reductase with potent and selective antileishmanial activity
Journal, issue, pagesTo Be Published
Publish dateOct 26, 2019 (structure data deposition date)
AuthorsRevuelto, A. / de Lucio, H. / Carriles, A. / Garcia Soriano, J.C. / Sanchez-Murcia, P.A. / Hermoso, J.A. / Gago, F. / Camarasa, M.J. / Jimenez-Ruiz, A. / Velazquez, S.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-6t97:
Trypanothione Reductase from Leismania infantum in complex with TRL190
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

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

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-MWW:
4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine

ChemComp-HOH:
WATER

Source
  • leishmania infantum (eukaryote)
KeywordsFLAVOPROTEIN / Inhibitor / Complex / Oxidoreductase / Leishmania / Drug

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