Molecular modeling of the interaction of trypanocide guanyl hydrazones with B-DNA

被引：22

作者：

Santos, OA

FigueroaVillar, JD

Araujo, MT

机构：

[1] INST MIL ENGN,DEPT QUIM,BR-22290270 RIO JANEIRO,RJ,BRAZIL

[2] UNIV FED FLUMINENSE,DEPT QUIM FIS,BR-24020150 NITEROI,RJ,BRAZIL

来源：

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 1997年 / 7卷 / 13期

关键词：

D O I：

10.1016/S0960-894X(97)00312-0

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Molecular modeling of the interaction of trypanocide aromatic guanyl hydrazones with B-DNA showed that the preferential sites for interaction are the DNA minor groove AT rich regions, with hydrogen bonding between the guanidine moiety of the drugs and the thymine O2, and the adenine N3. There is a correlation between the total interaction energy and ID50. (C) 1997 Elsevier Science Ltd.

引用

页码：1797 / 1802

页数：6

共 22 条

[1]

*BIOSYM TECHN, 1994, DISCOVER VERS 2 9 1

[2] MOLECULAR ELECTROSTATIC POTENTIALS FOR NUCLEIC-ACID BASES - ADENINE, THYMINE, AND CYTOSINE [J].