Molecular Modeling and Spectroscopic Studies on the Interaction between Phentolamine Mesylate and Myoglobin
文献类型：期刊论文
| 作者 | Mao Hui2; Kong Fanbin1; Zhao Guozheng2; Zhao Bo2; Shen Jingshan3
|
| 刊名 | ACTA CHIMICA SINICA
 |
| 出版日期 | 2010-08-14 |
| 卷号 | 68期号:15页码:1494-1498 |
| 关键词 | phentolamine mesylate (PM) myoglobin (Mb) interaction molecular modeling |
| ISSN号 | 0567-7351 |
| 文献子类 | Article |
| 英文摘要 | The molecular interaction mechanism of phentolamine mesylate (PM) with myoglobin (Mb) was investigated by UV absorption and fluorescence spectra in combination with molecular modeling under the simulated physiological conditions. The results revealed that the binding site number and apparent binding constant were 1 and 5.27 x 10(4) L.mol(-1) respectively. Furthermore, molecular modeling results indicated that PM could bind to the site 1 of Mb. Hydrophobic interaction, hydrophilic interaction, hydrogen bond formation and electrostatic interaction could account for the binding of PM. The hydrophobic interactions between the PM and Trp, Tyr, Phe of Mb lead to decrease of UV absorption and fluorescence quenching. Negative value of Delta G(Theta) shows that the binding reaction is thermodynamically favorable. |
| WOS关键词 | HUMAN SERUM-ALBUMIN ; ELECTRON-TRANSFER ; BINDING ; FLUORESCENCE ; ACID |
| WOS研究方向 | Chemistry |
| 语种 | 中文 |
| CSCD记录号 | CSCD:3974574 |
| WOS记录号 | WOS:000281655000006 |
| 出版者 | SCIENCE CHINA PRESS |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/278799]  |
| 专题 | 药物化学研究室 |
| 通讯作者 | Mao Hui |
| 作者单位 | 1.Henan Inst Sci & Technol, Sch Resource & Environm Sci, Xinxiang 453003, Peoples R China; 2.Nanjing Normal Univ, Coll Chem & Environm Sci, Jiangsu Key Lab Biofunct Mat, Nanjing 210097, Peoples R China; 3.Chinese Acad Sci, Shanghai Inst Mat Med, Shanghai 201203, Peoples R China |
| 推荐引用方式 GB/T 7714 | Mao Hui,Kong Fanbin,Zhao Guozheng,et al. Molecular Modeling and Spectroscopic Studies on the Interaction between Phentolamine Mesylate and Myoglobin[J]. ACTA CHIMICA SINICA,2010,68(15):1494-1498. |
| APA | Mao Hui,Kong Fanbin,Zhao Guozheng,Zhao Bo,&Shen Jingshan.(2010).Molecular Modeling and Spectroscopic Studies on the Interaction between Phentolamine Mesylate and Myoglobin.ACTA CHIMICA SINICA,68(15),1494-1498. |
| MLA | Mao Hui,et al."Molecular Modeling and Spectroscopic Studies on the Interaction between Phentolamine Mesylate and Myoglobin".ACTA CHIMICA SINICA 68.15(2010):1494-1498. |
入库方式： OAI收割
来源：上海药物研究所
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