New antitumoral acetogenin ‘Guanacone type’ derivatives: Isolation and bioactivity. Molecular dynamics simulation of diacetyl-guanacone

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.

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, we have carried out a four nanoseconds (ns) of MD simulation of compound 4, in a fully hydrated POPC bilayer, as reported.Figure optionsDownload as PowerPoint slide