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

被引：16

作者：

Barrachina, Isabel

Royo, Inmaculada

Baldoni, Hector A.

Chahboune, Nadia

Suvire, Fernando

DePedro, Nuria

Zafra-Polo, M. Carmen

Bermejo, Almudena

El Aouad, Noureddine

Cabedo, Nuria

Saez, Jairo

Tormo, Jose R.

Enriz, Ricardo D.

Cortes, Diego ^{[1
]}

机构：

[1] Univ Valencia, Fac Farm, Dept Farmacol, E-46100 Burjassot, Spain

[2] Merck Sharp & Dohme ESPNA SA, CIBE Merck Res Labs, Madrid 28027, Spain

[3] Univ Nacl San Luis, Dept Quim, RA-5700 San Luis, Argentina

[4] Inst Mat Aplicada San Luis, San Luis, Argentina

[5] Univ Antioquia, Dept Quim, Medellin, Colombia

来源：

BIOORGANIC & MEDICINAL CHEMISTRY | 2007年 / 15卷 / 13期

关键词：

annonaceae acetogenins; molecular dynamics simulation; tumor cell lines; mitochondrial complex I;

D O I：

10.1016/j.bmc.2007.04.039

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

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. (c) 2007 Published by Elsevier Ltd.

引用

页码：4369 / 4381

页数：13

共 41 条

[1] MODE OF ACTION OF BULLATACIN - A POTENT ANTITUMOR AND PESTICIDAL ANNONACEOUS ACETOGENIN [J].