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四氢异喹啉化合物CPU23与硝苯啶的分子模拟及其构象分析[J]. 中国药科大学学报, 1996, (2): 70+68-70.
引用本文: 四氢异喹啉化合物CPU23与硝苯啶的分子模拟及其构象分析[J]. 中国药科大学学报, 1996, (2): 70+68-70.
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Molecular Modeling and Conformational Analysis of Tetrahydroisoquinoline Compound CPU 23 and Nifedipine[J]. Journal of China Pharmaceutical University, 1996, (2): 70+68-70.
Citation: Molecular Modeling and Conformational Analysis of Tetrahydroisoquinoline Compound CPU 23 and Nifedipine[J]. Journal of China Pharmaceutical University, 1996, (2): 70+68-70.
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四氢异喹啉化合物CPU23与硝苯啶的分子模拟及其构象分析

Molecular Modeling and Conformational Analysis of Tetrahydroisoquinoline Compound CPU 23 and Nifedipine

    摘要
  • 摘要: 借助于ＰＯＬＹＧＥＮ软件包在ＳＧＩ－４Ｄ２５Ｇ超级工作站上对四氢异喹啉化合物ＣＰＵ２３和硝苯啶的化学结构进行了分子模拟。从分子模拟所得构象的分析比较发现：两者在空间构象及其有关性质方面存在一定相似性，从而进一步从理论上证实了药理试验结果。

     

    Abstract: Two molecular structures of CPU 23,which was proved to be a calcium antagonist interactingwith DAP binding site,and nifedipine were mimicked on a SGI-4D 25G computer with the POLYGEN software.The molecular modeling results showed that there were some simi

     

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