| 青花椒碱分子模拟及活性预测 |
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| 引用本文： | 周玉新,杜树山,乔延江,魏璐雪. 青花椒碱分子模拟及活性预测[J]. 北京中医药大学学报, 2000, 23(2) |
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| 作者姓名： | 周玉新 杜树山 乔延江 魏璐雪 |
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| 作者单位： | 北京中医药大学中药学院中药化学教研室,北京,100029 |
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| 基金项目： | 国家自然科学基金资助课题! (No.39370843) |
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| 摘 要： | 通过分子模拟技术得到青花椒碱 (Schinifoline)不同 3D构象 ,确定了所分离得到的Schinifoline的优势构象 ,并从空间角度讨论了NMR中NOESY效应 ;运用KDD技术通过搜寻DNP和MDDR3D数据库 ,预示Schinifoline可能还具有抑制 5 脂氧酶、抗过敏及拒食等活性
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| 关 键 词： | 青花椒 青花椒碱 活性 分子模拟 KDD技术 |
Molecular Modeling and Activities Prediction on Schinifoline |
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| Zhou Yuxin. Molecular Modeling and Activities Prediction on Schinifoline[J]. Journal of Beijing University of Traditional Chinese Medicine, 2000, 23(2) |
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| Authors: | Zhou Yuxin |
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| Abstract: | The 3D Conformations of Schinifoline which was isolated from Zanthoxylum schinifolium Sied et Zucc were obtained via Molecular Modeling,and the optimum conformation was identified as b conformation.The NOESY effects were discussed on the basis of space factors.Applying the method of Knowledge Discovery in Database(KDD)and searching in DNP and MDDR3D with KDD,schinifoline also showed other activities,such as antifeedant activity against Pectinophora gossypiella. 5 Lipoxygenase inhibition and antiallergic effect were showed as well. |
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| Keywords: | Zanthoxylum schinifolium Sied et Zucc Schinifoline Activities Molecular Modeling KDD |
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