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Protein Modelling and Molecular Docking Analysis of Fasciola hepatica β-Tubulin's Interaction Sites, with Triclabendazole, Triclabendazole Sulphoxide and Triclabendazole Sulphone.

Pamela Olivares-FerrettiJorge F BeltránLuis A SalazarFlery Fonseca-Salamanca
Published in: Acta parasitologica (2023)
Our investigation has yielded new insight on the mechanism of action of triclabendazole and its sulphometabolites on F. hepatica β-tubulin through computational tools. These findings have significant implications for ongoing scientific research ongoing towards the discovery of novel therapeutics to treat F. hepatica infections.
Keyphrases
  • molecular docking
  • small molecule
  • molecular dynamics simulations
  • protein protein
  • high throughput