Minor Groove Binding between Norfloxacin and DNA Duplexes in Solution: A Molecular Dynamics Study  

作　　者：Guo Zheng MA Ke Wen ZHENG Yong Jun JIANG Wen Na ZHAO Shu Lin ZHUANG Qing Sen YU 

机构地区：[1]Department of chemistry, Zhejiang University, Hangzhou 310027 [2]Key Laboratory for Molecular Design and Nutrition Engineering of Ningbo City, Ningbo Institute of Technology, Zhejiang University, Ningbo 315100

出　　处：《Chinese Chemical Letters》2005年第10期1367-1370,共4页中国化学快报（英文版）

基　　金：We thank the National Natural Science Foundation of China(No．20173050)for financial support．

摘　　要：Molecular dynamics were used to investigate the interaction between norfloxacin and DNA duplex. The results showed that norfloxacin was situated in the minor groove of DNA, binding to the TCGA region of d [ATATCGATAT] 2- Specific hydrogen bonds were formed between norfloxacin and guanine base of DNA during the 2 ns MD, which may be the reason for the preferentiality of quinolone antibacterial towards the guanine base of DNA duplex.Molecular dynamics were used to investigate the interaction between norfloxacin and DNA duplex. The results showed that norfloxacin was situated in the minor groove of DNA, binding to the TCGA region of d [ATATCGATAT] 2- Specific hydrogen bonds were formed between norfloxacin and guanine base of DNA during the 2 ns MD, which may be the reason for the preferentiality of quinolone antibacterial towards the guanine base of DNA duplex.

关 键 词：NORFLOXACIN DNA molecular dynamics. 

分 类 号：TQ465[化学工程—制药化工]