New Antitumoral Acetogenin “Guanacone type” Derivatives: Isolation and Bioactivity. Molecular Dynamics Simulation of Diacetyl-guanacone

I.BARRACHINA,I.ROYO,H.A.BALDONI, N. CHARBOUNE, F.SUVIRE, N.DEPEDRO,M.C.ZAFRA-POLO, A.BERMEJO, N.CABEDO, J.SAEZ.,J.TORMO, R.D.ENRIZ, D.CORTES

BIOORGANIC & MEDICINAL CHEMISTRY.

Elsevier

Lugar: Amsterdam; Año: 2007 vol. 15 p. 4369 - 4381

0968-0896

Abstract—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 the mitochondrial respiratory chain and several tumor cell lines. In addition, four nanoseconds (ns) of MD simulation of compound 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., in a fully hydrated POPC bilayer, is reported.