Conformational behavior of antineoplastic peptides dolastatin 10 and dolastatin 15 from Monte Carlo and molecular dynamics simulations

被引：1

作者：

Alcaro, Stefano

Marino, Tiziana

Ortuso, Francesco

Russo, Nino ^{[1
]}

机构：

[1] Univ Calabria, Dipartimento Chim, I-87030 Arcavacata Di Rende, Italy

[2] Univ Calabria, Ctr Calcolo Alte Prestaz Elaboraz Parallele & Dis, Ctr Eccellenza MIUR, I-87030 Arcavacata Di Rende, Italy

[3] Univ Magna Graecia Catanzaro, Dipartimento Sci Farmacobiol, I-88021 Catanzaro, Italy

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 2007年 / 107卷 / 02期

关键词：

dolastatins; tubulin; Monte Carlo; molecular dynamics;

D O I：

10.1002/qua.21195

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In this work, we report the results of a combined Monte Carlo (MC) and molecular dynamics (MD) approach applied to the conformational study of natural potent mitosis inhibitor Dolastatin 15. A GRID and CLogP analysis has been performed with the aim to provide some hints to the interpretation of the different behavior of Dolastatin 15 and Dolastatin 10, which has been examined in a former study. (c) 2006 Wiley Periodicals, Inc.

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收藏

页码：318 / 325

页数：8

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