Insight into the mechanism of action of plakortins, simple 1,2-dioxane antimalarials.

  title={Insight into the mechanism of action of plakortins, simple 1,2-dioxane antimalarials.},
  author={Orazio Taglialatela‐Scafati and Ernesto Fattorusso and Adriana Romano and Fernando Scala and Vincenzo Barone and Paola Cimino and Emiliano Stendardo and Bruno Catalanotti and Marco Giovanni Persico and Caterina Fattorusso},
  journal={Organic \& biomolecular chemistry},
  volume={8 4},
A multidisciplinary approach, based on molecular dynamics/mechanics, ab initio calculations, dynamic docking studies, and chemical reactions, has been employed to gain insight into the mechanism of the antimalarial action of plakortin and dihydroplakortin, simple 1,2-dioxanes isolated from the sponge Plakortis simplex. Our results show that these molecules, after interaction of the endoperoxide bond with Fe(ii), likely coming from the heme molecule, give rise to the formation of an oxygen… 
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