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高通量药物筛选中靶分子固定化数学物理模型的建立
Establishment of Mathematic-Physical Models for Target Immobilization in High-Throughput Screening
【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 .
【Abstract】 Based on the analysis of the basic process involved in high-throughpu t screening (HTS), the present article discusses the possible effect of target i mmobilization on the screening quality. Judged from intermolecular interactions , the actual process in HTS is more complicated than that in ideal situation. Wi th more or less interactions electrostatic, hydrophobic or hydrogen-bo nding ca n be involved in this process. With the induction derived from these interaction s, the immobilization mode of target may be in monolayer or a more c omplicated multi-layer form. In addition, this article presents the mathe m atic expressions related to the corresponding interaction forms, including targe t and target, target and microsphere, and bulk phase and surface phase as well. T hese expressions are expected to show a certain degree of usability in the futur e work.
【Key words】 high-throughput screening of drugs; target immobilization; intermolecular inter action; mathematic-physical model;
- 【文献出处】 中国科学院研究生院学报 ,Journal of the Graduate School of the Chinese Academy of Science , 编辑部邮箱 ,2005年02期
- 【分类号】R965.1
- 【被引频次】1
- 【下载频次】237