抗肿瘤药物诺加霉素与DNA相互作用的分子模型

Molecular models for the interaction of the anti-tumour drug nogalamycin with DNA.

作者信息

Collier D A, Neidle S, Brown J R

出版信息

Biochem Pharmacol. 1984 Sep 15;33(18):2877-80. doi: 10.1016/0006-2952(84)90210-7.

Abstract

Computer graphics and non-bonded energy calculations have been used to model the intercalative binding of the anti-tumour antibiotic nogalamycin, to double-stranded DNA. The drug is predicted to bind preferentially to A-T rich sites. Specific hydrogen bonds to the exocyclic amino group of adenine bases on the 3' side of an intercalative site have been found by the modelling procedure.

摘要

计算机图形学和非键能计算已被用于模拟抗肿瘤抗生素诺加霉素与双链DNA的嵌入结合。预计该药物会优先结合富含A-T的位点。通过建模程序发现，在嵌入位点3'侧的腺嘌呤碱基的环外氨基上存在特定的氢键。