【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更多还原

【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.更多还原