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Vol. 25 No. 8 (2013): Vol 25 Issue 8

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Conformational Analysis and Physical-Chemistry Property Relationship for 22-Membered Macrolides

https://doi.org/10.14233/ajchem.2013.14051
Salah Belaidi
Department of Chemistry and Exact Science, Faculty of Science of Nature and Life, University of Biskra, BP 145, 07000, Biskra, Algeria
Nadjib Melkemi
Department of Chemistry and Exact Science, Faculty of Science of Nature and Life, University of Biskra, BP 145, 07000, Biskra, Algeria

Corresponding Author(s) : Salah Belaidi

salah_belaidi@hotmail.com; prof.belaidi@gmail.com

Asian Journal of Chemistry, Vol. 25 No. 8 (2013): Vol 25 Issue 8

Abstract

Conformational analysis of 22 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 macrolactones. For 22 d macrolactone, which was presented by a most favoured conformer with 20.1 % without complex; it was populated with 36.2 % in presence of Fe(CO)3. An additional study is performed of structure-property relationship for a series of 22-membered macrolides antibiotics.

Keywords

Macrolactone Conformational analysis Molecular mechanics Molecular dynamics Structure-property relationship
Belaidi, S., & Melkemi, N. (2013). Conformational Analysis and Physical-Chemistry Property Relationship for 22-Membered Macrolides. Asian Journal of Chemistry, 25(8), 4527–4531. https://doi.org/10.14233/ajchem.2013.14051
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