| 促生长激素释放素三维定量构效关系及药效团模型 |
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| 引用本文： | 刘亮,王任小,来鲁华,李崇熙.促生长激素释放素三维定量构效关系及药效团模型[J].物理化学学报,1997,13(12):1090-1096. |
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| 作者姓名： | 刘亮 王任小 来鲁华 李崇熙 |
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| 作者单位： | College of Chemistry and Molecular Engineering,Peking University,Beijing 100871 |
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| 基金项目： | 国家科委及国家自然科学基金 |
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| 摘 要： | 用比较分子场分析方法对促生长激素释放素Ｌ－６９２，４２９的系列物进行了三维定量构效研究，得到具有较强预测能力的模型并确定了母体的活性构象，用距离比较方法将Ｌ－６９２，４２９的活性构象与两个活性多肽进行了迭合，找到了可能的药效团，药效团模型显示Ｌ－６９２，４２９的氨基和四唑是氢键的给体和受体，而Ａ和Ｃ环是主要的疏水核心。
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| 关 键 词： | 促生长激素释放素 CoMFA DISCO 药效团 多肽类似物 |
| 收稿时间： | 1997-03-18 |
| 修稿时间： | 1997-05-28 |
3D-QSAR and Pharmacophore Modeling of Growth Hormone Secretagogues |
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| Liu Liang, Wang Renxiao, Lai Luhua, Li Chongxi.3D-QSAR and Pharmacophore Modeling of Growth Hormone Secretagogues[J].Acta Physico-Chimica Sinica,1997,13(12):1090-1096. |
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| Authors: | Liu Liang Wang Renxiao Lai Luhua Li Chongxi |
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| Institution: | College of Chemistry and Molecular Engineering,Peking University,Beijing 100871 |
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| Abstract: | Comparative molecular field analysis (CoMFA) was applied to the quantitative structure-activity relationship studies of gr0wth horm0ne secretagogUes- The final model is highly predictive, and the active conformation of this series of compounds was derived based on the m0del. This speculated active c0nf0rmation was then imposed on the c0nf0rmations of tw0 known bioactive peptides by distance-comparision (DISCO) analysis to find a reasonable pharmacophore.It was shown that the andno group on L-692, 429 is a hydrogen bond donor while the tetrazole ring is a hydrogen bond acceptor, and, A ring and C ring are main hydrophobic cores. |
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| Keywords: | Growth hormone secretagogue CoMFA DISC0 Pharmacophore Peptide mimetics |
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