| 高通量药物筛选中靶分子固定化数学物理模型的建立 |
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| 作者姓名： | 李松军 刘白玲 |
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| 作者单位： | 1. 中国科学院研究生院, 北京 100049;
2. 中国科学院成都有机化学研究所, 成都 610041 |
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| 摘 要： | 通过对高能量药物筛选基本过程的分析,探索了靶分子固定化可能对筛选质量构成的影响.从分子相互作用看,实际的过程远较理想的情况复杂.分子间存在的静电力、疏水作用力及氢键力能对固定化的机理构成较大影响,甚至可能诱发多层吸附的固定化模式.基于固定化过程中可能存在的靶分子与靶分子、靶分子与微球、体相与表面相之间的相互作用,构筑了相应的数学物理模型,为实际的筛选工作提供了可参考的理论依据.
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| 关 键 词： | 高通量药物筛选 靶分子固定化 相互作用 数学物理模型 |
| 收稿时间： | 2004-04-13 |
| 修稿时间： | 2004-06-28 |
Establishment of Mathematic-Physical Models for Target Immobilization in High-Throughput Screening |
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| Authors: | LI Song-Jun LIU Bai-Ling |
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| Institution: | 1. Graduate School of Chinese Academy of Sciences, Beijing 100049, China;
2. Chengdu Institute of Organic Chemistry, Chinese Academy of Sciences, Chengd u 610041, China |
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| Abstract: | Based on the analysis of the basic process involved in high-throughput screening ( HTS), the present article discusses the possible effect of target immobilizat ion on the screening quality. Judged from intermolecular interactions, the actual process in HTS is more complicated than that in ideal situation. With more or less interactions electrostatic, hydrophobic or hydrogen-bonding can be involved in this process. With the induction derived from these interactions, the immobilization mode of target may be in monolayer or a more complicated mult-i layer form. In addit ion, this article presents the mathematic expressions related to the corresponding interaction forms, including target and target, target and microsphere, and bulk phase and surface phase as well. These expressions are expected to show a certain degree of usability in the future work. |
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| Keywords: | high-throughput screening of drugs target immobilization intermolecular interaction mathematicphysical model |
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