| 喹诺酮类N1位定量构效关系研究 |
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| 引用本文： | 朱龙观,俞庆森,陈凯先,蔡国强,林瑞森.喹诺酮类N1位定量构效关系研究[J].物理化学学报,1995,11(10):925-928. |
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| 作者姓名： | 朱龙观 俞庆森 陈凯先 蔡国强 林瑞森 |
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| 作者单位： | Department of Chemistry,Zhejiang University,Hangzhou 310027,Shanghai Institute of Materia Medica,Academic Science of China,Shanghai 200031 |
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| 摘 要： | 氟隆诺酮类化合物是抗菌药中的重要一类，由于它的许多突出特点，已引起越来越多的研究者的关注山．这类化合物骨架见图1．我们对该类化合物进行过一些研究［’‘l自发现诺氟沙星＊以后，几位取代基在寻找高效、广谱峻诺酮类化合物方面起重要作用，但在发现环丙基（1983年）、特丁基（1989年）以后，一直未发现新的有意义的取代基·在NI位定性与定星构效关系的研究中有二种观点：（1）古贺弘等k’］提出的由立体效应决定的观点；（z）Domagala［71、Chu问等主张的立体与电子效应共同起作用的观点·3D－QSAR研究中的比较分子力场分析（Co…
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| 关 键 词： | 氟喹诺酮类化合物 定量构效关系 比较分子立场分析 |
| 收稿时间： | 1994-10-01 |
| 修稿时间： | 1995-01-10 |
Study on the Quantitative Structure-activity Relationship of N_1 Position of Quinolone |
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| Zhu Longguan, Yu Qingsen, Chen Kairian ,Cai Guoqiang, Liu Ruisen.Study on the Quantitative Structure-activity Relationship of N_1 Position of Quinolone[J].Acta Physico-Chimica Sinica,1995,11(10):925-928. |
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| Authors: | Zhu Longguan Yu Qingsen Chen Kairian Cai Guoqiang Liu Ruisen |
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| Institution: | Department of Chemistry,Zhejiang University,Hangzhou 310027|Shanghai Institute of Materia Medica,Academic Science of China,Shanghai 200031 |
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| Abstract: | The steric and electrostatic effects of N1 substituted groups of fluoroquinolones and the way to find the new group with high activities by Comparative Molecular Field Analysis (CoMFA) have been studied. The results indicated that: (1) The activity of N1 position was mainly determinted by the steric effect, but the electrostatic effect is also important; (2) No new N1 substituted group with higher activity was found from the coefficient plots of CoMFA, which reflected the experimental Iesults of late of years. |
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| Keywords: | Fluoroquinolone QSAR CoMFA |
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