New antitumoral acetogenin 'Guanacone type' derivatives: isolation and bioactivity. Molecular dynamics simulation of diacetyl-guanacone.

نویسندگان

  • Isabel Barrachina
  • Inmaculada Royo
  • Héctor A Baldoni
  • Nadia Chahboune
  • Fernando Suvire
  • Nuria DePedro
  • M Carmen Zafra-Polo
  • Almudena Bermejo
  • Noureddine El Aouad
  • Nuria Cabedo
  • Jairo Saez
  • José R Tormo
  • Ricardo D Enriz
  • Diego Cortes
چکیده

We describe herein the isolation and semisynthesis of four acetogenin derivatives (1-4) as well as their ability to inhibit the mitochondrial respiratory chain and several tumor cell lines. In addition, four nanoseconds (ns) of MD simulation of compound 4, in a fully hydrated POPC bilayer, is reported.

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عنوان ژورنال:
  • Bioorganic & medicinal chemistry

دوره 15 13  شماره 

صفحات  -

تاریخ انتشار 2007