Analysis of cyclosporin A and a set of analogs as inhibitors of a T. cruzi cyclophilin by docking and molecular dynamics

@article{Carraro2016AnalysisOC,
  title={Analysis of cyclosporin A and a set of analogs as inhibitors of a T. cruzi cyclophilin by docking and molecular dynamics},
  author={R. Carraro and F. Iribarne and M. Paulino},
  journal={Journal of Biomolecular Structure and Dynamics},
  year={2016},
  volume={34},
  pages={399 - 413}
}
  • R. Carraro, F. Iribarne, M. Paulino
  • Published 2016
  • Medicine, Chemistry
  • Journal of Biomolecular Structure and Dynamics
  • Cyclophilins (CyPs) are enzymes involved in protein folding. In Trypanosoma cruzi (T. cruzi), the most abundantly expressed CyP is the isoform TcCyP19. It has been shown that TcCyP19 is inhibited by the immunosuppressive drug cyclosporin A (CsA) and analogs, which also proved to have potent trypanosomicidal activity in vitro. In this work, we continue and expand a previous study on the molecular interactions of CsA, and a set of analogs modeled in complexes with TcCyP19. The modeled complexes… CONTINUE READING
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