ELECTROSTATIC POTENTIALS OF DEOXYDINUCLEOSIDE MONO-PHOSPHATES .1. DEOXYDINUCLEOSIDE MONOPHOSPHATES AND ACTINOMYCIN CHROMOPHORE INTERACTIONS

被引：21

作者：

NUSS, ME ^{[1
]}

KOLLMAN, PA ^{[1
]}

机构：

[1] UNIV CALIF SAN FRANCISCO, SCH PHARM, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA

来源：

JOURNAL OF MEDICINAL CHEMISTRY | 1979年 / 22卷 / 12期

关键词：

D O I：

10.1021/jm00198a016

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

We present electrostatic potential maps for the ten Watson-Crick base-pair combinations of dinucleoside monophosphates in a conformation appropriate for intercalation of drugs to occur. These maps reveal interesting differences among the base-pair combinations and suggest reasons for the base-pair specificities often observed upon intercalation. Simple electrostatic calculations on the intercalation energy of substituted actinomycin chromophores correlate qualitatively with the relative biological activity of these compounds, although the correlation with binding affinity is not as satisfactory. © 1979, American Chemical Society. All rights reserved.

引用

页码：1517 / 1524

页数：8

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