IS INTRAMOLECULAR HYDROGEN-BONDING IMPORTANT FOR BLEOMYCIN REACTIVITY - A MOLECULAR MECHANICS STUDY

被引：32

作者：

WU, YD

HOUK, KN

VALENTINE, JS

NAM, W

机构：

来源：

INORGANIC CHEMISTRY | 1992年 / 31卷 / 05期

关键词：

D O I：

10.1021/ic00031a002

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Models for bleomycin-metal complexes have been studied by MM2 calculations. Geometries calculated for these complexes compare favorably with those for available X-ray structures. A hydrogen-bonding model for the bleomycin activation is proposed for the first time. This model requires the imidazole group to be axial, so that the N-H bond of the beta-aminoalanine secondary amine is suitable for hydrogen-bonding with an axial O2H- ligand.

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页码：718 / &

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