A molecular model for DNA cross-linking by the antitumor agent azinomycin B

被引：34
|
作者：
Alcaro, S
Coleman, RS
机构：
[1] Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
[2] Ohio State Univ, Ctr Comprehens Canc, Columbus, OH 43210 USA
[3] Univ Ctanzaro Magna Graecia, Dipartimento Sci Farmacobiol, I-88021 Catanzaro, Italy
来源：
JOURNAL OF MEDICINAL CHEMISTRY | 2000年 / 43卷 / 15期
关键词：
D O I：
10.1021/jm990362l
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
A computational model for the covalent interstrand DNA cross-linking of the antitumor agent azinomycin B is reported and is based on Monte Carlo simulations of the four possible monoalkylation species and an examination of the low energy conformations of the cross-linked agent. The model was developed using a suitably modified version of the AMBER* force field with the experimentally determined triplet DNA target sequence 5'-d(GCT)-3' in both the native B-form and containing a preformed intercalation site.
引用
收藏
页码：2783 / 2788
页数：6
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