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In Silico Molecular Modeling and Docking Studies on the

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Academic year: 2019

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Figure  1  - Multiple sequence alignment of the tryparedoxin peroxidases from  Crithidia  fasciculata,  Leishmania  donovani  and  Trypanosoma  cruzi
Figure  2  -  Superposition  of  the  template  (Crithidia  fasciculata  tryparedoxin  peroxidase,  PDB  ID  1E2Y)  and  the  target  (Leishmania  donovani  tryparedoxin  peroxidase)  proteins according to the C α  traces (RMSD
Table 2 – Docking results of the selected compounds.  Compound  No  Compound ID  MolDock Score (kcal/mol)  HBond Score (kcal/mol)  Target

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