CONFORMATIONAL-ANALYSIS OF AZITHROMYCIN BY NUCLEAR-MAGNETIC-RESONANCE SPECTROSCOPY AND MOLECULAR MODELING

被引:38
作者
LAZAREVSKI, G
VINKOVIC, M
KOBREHEL, G
DOKIC, S
METELKO, B
VIKICTOPIC, D
机构
[1] RUDJER BOSKOVIC INST, 41000 ZAGREB, CROATIA
[2] NIDDK, ANALYT CHEM LAB, BETHESDA, MD 20892 USA
关键词
AZITHROMYCIN; CONFORMATIONAL ANALYSIS; NMR SPECTROSCOPY; MOLECULAR MODELING;
D O I
10.1016/S0040-4020(01)86274-8
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
The conformation of azithromycin 1 in the solution was determined by NMR spectroscopy and molecular mechanics calculations and compared with its crystal structure and with some erythromycin derivatives. In solution 1 exists predominantly in a ''folded-in '' conformation in the C-3 to C-5 region. whereas its crystal state conformation is ''folded-out''.
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页码:721 / 730
页数:10
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