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作 者:江明达 包文丽 徐宁[1] 于佳琪 许良[1] JIANG Ming-da;BAO Wen-li;XU Ning;YU Jia-qi;XU Liang(Inner Mongolia Key Laboratory of Natural Products Chemistry and Functional Molecular Synthesis,College of Chemistry and Materials Science,Inner Mongolia Minzu University,Inner Mongolia Tongliao 028000,China)
机构地区:[1]内蒙古民族大学天然产物化学及功能分子合成自治区重点实验室,内蒙古通辽028000
出 处:《广州化工》2022年第9期70-73,共4页GuangZhou Chemical Industry
摘 要:采用色谱分离方法从延胡索分离出12个生物碱化合物,经核磁共振数据鉴定分别是四氢小蘖碱、巴马汀、延胡索乙素、去氢紫堇碱、异紫堇球碱、四氢非洲防己胺、d-紫堇碱、四氢黄连碱,海罂粟碱、脱氢海罂粟碱,普鲁托品。同时以蛋白COX-2、1S1R和1DVX为靶标,采用分子对接技术模拟化合物与蛋白结合,计算结果表明12个生物碱化合物与抗炎蛋白COX-2、1S1R、1DVX均有较强的亲和力,为延胡索的开发利用奠定基础。Twetle Alkaloids were separated and pured from Corydalis yanhusuo W.T.Wang by the method of chromatography,which were identified as d-corydaline,tetrahydropalmatine,dehydrocorydaline,palmatine,tetrahydroberberine,protopine,tetrahydrocoptisine,tetrahydrocorysamine,glaucine,dehydroglaucine,and tetraydrocolumbamine.To screen the potential active ati-inflammatory components of Corydalis yanhusuo W.T.Wang with the molecular docking technology with COX-2,1 S1 R and 1 DVX respectively.The screening results were optimized by combining the Glide Score with the interaction mode between the compounds and the targeting receptor protein.The molecular docking results showed that d-corydaline,tetrahydropalmatine,dehydrocorydaline,palmatine,tetrahydroberberine,protopine,tetrahydrocoptisine,tetrahydrocorysamine,glaucine,dehydroglaucine,and tetraydrocolumbamine could be used as ati-inflammatory components.
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