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作 者:刘冰 陈宁 赵丹[3] 郑威[1] 徐昶儒 王淑静 邹翔[1,2] 汲晨锋 LIU Bing;CHEN Ning;ZHAO Dan;ZHENG Wei;XU Chang-ru;WANG Shu-jing;ZOU Xiang;JI Chen-feng(Pharmaceutical Engineering Technology Research Center,Harbin University of Commerce,Harbin 150076,China;National Center for Anti Cancer Natural Medicine Engineering,Harbin 150076,China;School of Food,Harbin University of Commerce,Harbin 150076,China)
机构地区:[1]哈尔滨商业大学药物工程技术研究中心,黑龙江哈尔滨150076 [2]国家教育部抗肿瘤天然药物工程研究中心,黑龙江哈尔滨150076 [3]哈尔滨商业大学食品学院,黑龙江哈尔滨150076
出 处:《黑龙江农业科学》2020年第7期99-105,共7页Heilongjiang Agricultural Sciences
基 金:黑龙江省自然基金(H2017001);黑龙江省博士后基金(LBH-Z16095);哈尔滨商业大学在站博士后支撑计划(2017BSH003);哈尔滨商业大学在站博士后科研支撑计划(2017BSH001)。
摘 要:水鬼蕉(Hymenocallis littoralis)中总生物碱作为体外抗肿瘤的主要药效物质基础,对60种人体癌细胞系有较强的特异性,近年来备受关注,但实际的作用机制尚不明确,本文在前期水鬼蕉生物碱类化合物化学结构研究基础上,整理收集生物碱类小分子化合物,对已知化学信息进行归纳总结,基于eEF1A1和mTOR两种关键蛋白的晶体结构,对水鬼蕉生物碱类化合物进行计算机模拟分子对接。结果表明:石蒜碱与eEF1A1和mTOR蛋白作用模式较好,进入了关键作用的口袋中,是水鬼蕉发挥抗肿瘤作用的关键化合物。As the main pharmacodynamic substance base of anti-tumor in vitro,total alkaloids of Hymenocallis littoralis show strong specificity to sixty human cancer cell lines and have attracted much attention in recent years.However,the actual mechanism of action is still unclear.In this paper,based on the previous studies on the chemical structure of alkaloids,small molecular compounds of alkaloids were sorted out and collected,and the known chemical information was summarized.Based on the crystal structure of two key proteins,eEF1A1 and mTOR,the computer simulated molecular docking of the alkaloid compounds of Hymenocallis littoralis was carried out,and it was found that lyalline had a good action pattern with eEF1A1 and mTOR proteins,entered into the pocket of the key role.It is a key compound that plays an anti-tumor role.
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