| 芳基三氮烯4-位取代基对抗癌活性影响的构象分析 |
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| 引用本文： | 范小玲,朱敏慧,傅亨. 芳基三氮烯4-位取代基对抗癌活性影响的构象分析[J]. 物理化学学报, 1989, 5(4): 392-394. DOI: 10.3866/PKU.WHXB19890403 |
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| 作者姓名： | 范小玲 朱敏慧 傅亨 |
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| 作者单位： | The Institute of Electronics; Academia Sinica; The Institute of Chemistry; Academia Sinica |
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| 摘 要： | 传统的药物设计和新药开发主要是依靠随机筛选,这种方法误差大,且需要费大量时间和经费,其结果也经常不能达到预期的设想。即使是一个国际性的大制药集团,每年平均要合成上万个化合物才能从中筛选出一个可以成为商品的新药。这种状况迫使我们去寻找一条新的打破常规的途径研究新药。近年来,随着计算机图形系统的广泛应用,对药物构效关系的研究得到了卓有成效的发展,取得了一些成功的例子。如抗菌抗癌琥珀酰-L脯氨酸就是计算化学与分子图形技术相结合的成果,目前已投放市场。
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| 关 键 词： | 抗癌活性 芳基三氮烯 构象分析 |
| 收稿时间： | 1989-01-11 |
| 修稿时间： | 1989-04-11 |
THE CONFORMATIONAL ANALYSIS OF 4′-R-3,3-DIALKYLPHENYL-TRIAZENES ON ANTITUMOR POTENCY |
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| Fan Xiaoling,Zhu Minhui,Fu Heng. THE CONFORMATIONAL ANALYSIS OF 4′-R-3,3-DIALKYLPHENYL-TRIAZENES ON ANTITUMOR POTENCY[J]. Acta Physico-Chimica Sinica, 1989, 5(4): 392-394. DOI: 10.3866/PKU.WHXB19890403 |
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| Authors: | Fan Xiaoling Zhu Minhui Fu Heng |
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| Affiliation: | The Institute of Electronics; Academia Sinica; The Institute of Chemistry; Academia Sinica |
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| Abstract: | Using the MMPI program and 3-D high resolution molecular modeling system, a preliminary structure-activity relationship (SAR) based upon molecular shape analysis has been developed for a set of 20 4-R-3, 3-dialkylphenyl-triazenes for which antitumor potency against L1712 Leukemia in mice is reported. The SAR suggests that for antitumor potency, here is a significant difference between the shapes of the active and inactive molecules. |
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