Table of Contents
ISRN Organic Chemistry
Volume 2011, Article ID 594242, 5 pages
http://dx.doi.org/10.5402/2011/594242
Research Article

Conformational Analysis in 18-Membered Macrolactones Based on Molecular Modeling

Department of chemistry, Faculty of sciences, University of Biskra, BP 145, 07000 Biskra, Algeria

Received 30 January 2011; Accepted 9 March 2011

Academic Editor: H. Wakamatsu

Copyright © 2011 Salah Belaidi and Dalal Harkati. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

Conformational analysis of 18-ring membered macrolactones has been carried out using molecular mechanics calculations and molecular dynamics. A high conformational flexibility of macrolactones was obtained, and an important stereoselectivity was observed for the complexed macrolides. For 18d macrolactone, which was presented by a most favored conformer with 20.1% without complex, it was populated with 50.1% in presence of Fe(CO)3.