| Minor Groove Binding between Norfloxacin and DNA Duplexes in Solution： A Molecular Dynamics Study |
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| 作者姓名： | Guo Zheng MA Ke Wen ZHENG Yong Jun JIANG Wen Na ZHAO Shu Lin ZHUANG Qing Sen YU |
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| 作者单位： | [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 |
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| 摘 要： | Quinolones,a series of nalidixic acid analogues,represent a class of extremely potent antibacterial drugs.Although the functional target of these agents such as norfloxacin has been identified as the enzyme DNA gyrase,the direct binding site of the drug is the DNA itself1.Interactions between quinolones and diversified DNA have been studied by several biochemical,spectroscopic and computational methods2-8.Shen et al.proposed a cooperative drug-DNA binding model.The essential feature of th…
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| 关 键 词： | 诺氟沙星 氟哌酸 DNA 分子动力学 抗菌药 |
| 收稿时间： | 2005-01-17 |
Minor Groove Binding between Norfloxacin and DNA Duplexes in Solution: A Molecular Dynamics Study |
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| Guo Zheng MA Ke Wen ZHENG Yong Jun JIANG Wen Na ZHAO Shu Lin ZHUANG Qing Sen YU.Minor Groove Binding between Norfloxacin and DNA Duplexes in Solution: A Molecular Dynamics Study[J].Chinese Chemical Letters,2005,16(10):1367-1370. |
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| Authors: | Guo;Zheng;MA;Ke;Wen;ZHENG;Yong;Jun;JIANG;Wen;Na;ZHAO;Shu;Lin;ZHUANG;Qing;Sen;YU |
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| Abstract: | 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. |
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| Keywords: | Norfloxacin DNA molecular dynamics |
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