墨西哥刺种子生物碱的分子几何学研究 罂粟

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摘要翻译：
这项工作是通过分子力学研究在墨西哥Argemone Mexicana Linn种子中发现的主要生物碱的几何形状，墨西哥Argemone Mexicana Linn是一种多刺罂粟，被认为是墨西哥和印度传统医学系统中最重要的植物种类之一。种子具有杀菌剂、致幻剂、杀菌剂、杀虫剂、异喹啉和血根碱等生物碱的毒性。在计算机模拟中描述了通过植物种子中主要生物碱化合物的分子力学来计算分子几何形状的研究。该植物的有效成分化合物有：异氪碱、小檗碱、白屈菜红碱、科普西汀、二氢血根碱、原血根碱和血根碱。所研究的生物碱形成两个电荷分布相似的基团，它们的偶极矩比另一个基团高两倍。
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英文标题：
《Molecular geometry of alkaloids present in seeds of mexican prickly
  poppy》
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作者：
Ricardo Gobato, Desire Francine Gobato Fedrigo and Alekssander Gobato
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最新提交年份：
2015
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分类信息：

一级分类：Quantitative Biology        数量生物学
二级分类：Other Quantitative Biology        其他定量生物学
分类描述：Work in quantitative biology that does not fit into the other q-bio classifications
不适合其他q-bio分类的定量生物学工作
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英文摘要：
  The work is a study of the geometry of the molecules via molecular mechanics of the main alkaloids found in the seeds of Argemone Mexicana Linn, a prickly poppy, which is considered one of the most important species of plants in traditional Mexican and Indian medicine system. The seeds have toxic properties as well as bactericide, hallucinogenic, fungicide, insecticide, in isoquinolines and sanguinarine alkaloids such as berberine. A computational study of the molecular geometry of the molecules through molecular mechanics of the main alkaloids compounds present in plant seeds is described in a computer simulation. The plant has active ingredients compounds: allocryptopine, berberine, chelerythrine, copsitine, dihydrosanguinarine, protopine and sanguinarine. The studied alkaloids form two groups having similar charge distribution among themselves, which have dipole moments of these two times higher than in the other group.
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PDF链接：
https://arxiv.org/pdf/1507.05042

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关键词：几何学 生物碱 墨西哥 Quantitative distribution 力学 berberine 植物 红碱 电荷分布