| 高通量药物筛选中靶分子固定化数学物理模型的建立 |
| |
| 引用本文： | 李松军,刘白玲.高通量药物筛选中靶分子固定化数学物理模型的建立[J].中国科学院研究生院学报,2005,22(2):179-186. |
| |
| 作者姓名： | 李松军 刘白玲 |
| |
| 作者单位： | 中国科学院研究生院,北京,100049;中国科学院成都有机化学研究所,成都,610041 |
| |
| 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 .
|
| 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 |
| 文章编号： | 1002-1175(2005)02-0179-08 |
| 修稿时间： | 2004年4月13日 |
Establishment of Mathematic-Physical Models for Target Immobilization in High-Throughput Screening |
| |
| LI Song-jun,LIU Bai-ling.Establishment of Mathematic-Physical Models for Target Immobilization in High-Throughput Screening[J].Journal of the Graduate School of the Chinese Academy of Sciences,2005,22(2):179-186. |
| |
| Authors: | LI Song-jun LIU Bai-ling |
| |
| 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. |
| |
| Keywords: | high-throughput screening of drugs target immobilization intermolecular inter action mathematic-physical model |
| 本文献已被 CNKI 万方数据 等数据库收录！ |
|
