| 小分子脂水分配系数最优值的计算机模拟 |
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| 引用本文： | 高军晖,刘飞,吴桂强. 小分子脂水分配系数最优值的计算机模拟[J]. 数理医药学杂志, 2009, 22(4): 383-384 |
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| 作者姓名： | 高军晖 刘飞 吴桂强 |
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| 作者单位： | 上海生物信息技术研究中心,上海,200235;上海生物信息技术研究中心,上海,200235;上海生物信息技术研究中心,上海,200235 |
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| 摘 要： | 首先建立了药物小分子进入体内到达细胞内受体表面的数学模型,然后通过计算机模拟,计算药物小分子达到受体表面的浓度,最后比较了不同脂水分配系数下的情况。结果表明,拥有最优脂水分配系数的药物小分子,才能更多的到达受体表面。
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| 关 键 词： | 脂水分配系数 计算机模拟 最优值 |
Optimization Value Computer Modeling for Lipid/water Partition Coefficient of Small Molecule |
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| Gao Junhui,et al. Optimization Value Computer Modeling for Lipid/water Partition Coefficient of Small Molecule[J]. Journal of Mathematical Medicine, 2009, 22(4): 383-384 |
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| Authors: | Gao Junhui et al |
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| Affiliation: | Gao Junhui,et al(Shanghai Center for Bioinformation Technology,Shanghai 200235) |
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| Abstract: | In this paper,first,we build a mathematical model describing the process of small moleculars arriving at the surface of receptor in cells,Then through computer simulation,we calculated the Concentration at the surface of the receptor,finally compare the result of different lipid-water partition coefficient.It indicated that the small molecular which has optimal lipid-water partition coefficient can arrive at the surface of receptor more than others. |
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| Keywords: | lipid/water partition coefficient computer modeling optimization value |
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