Conformational analysis in 18-membered macrolactones based on molecular modeling.
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.
Department of chemistry, Faculty of sciences, University of Biskra, BP 145, 07000 Biskra, Algeria.
Salah
S
Belaidi
Dalal
D
Harkati