高通量筛选技术中数学模型的建立

doi:10.7523/j.issn.2095-6134.2004.3.008

中国科学院大学学报 ›› 2004, Vol. 21 ›› Issue (3): 333-339.DOI: 10.7523/j.issn.2095-6134.2004.3.008

高通量筛选技术中数学模型的建立

李松军^{1, 2}, 刘白玲¹, 胡杰^{1, 2}

1. 中国科学院成都有机化学研究所, 成都 610041;
2. 中国科学院研究生院, 北京 100039

收稿日期:2003-05-14 修回日期:2003-09-15 发布日期:2004-05-10
基金资助:
国家重大项目“973”计划预选项目

Building of Mathematic Models for High-Throughput Screening

LI SongJun^1,2, LIU BaiLing¹, HU Jie^1,2

1. Chengdu Institute of Organic Chemistry, Chinese Academy of Sciences, Chengdu 610041, China;
2. Graduate School of the Chinese Academy of Sciences, Beijing 100039, China

Received:2003-05-14 Revised:2003-09-15 Published:2004-05-10

摘要/Abstract

摘要：

在高通量药物筛选中，数学模型被认为是实现对样品库大规模筛选及筛选过程自动化的基础。从热力学及动力学的角度对药物筛选的原理与方法进行了分析研究；同时也对药物与靶点的3种可能的作用体系进行了研究，获得了药物筛选过程的热力学与动力学综合模型和基础数学模型。

关键词: 高通量药物筛选, 数学模型, 定性定量

Abstract:

In high throughput screening process, mathematic models are regarded as the foundations for large scale screening for compound library and automating the process. With thermodynamics and kinetics as the means, the article provides synthetically dynamic models by analyzing the principle of screening. Meanwhile, the article also analyzes three probable interactions between drugs and targets, and deduces corresponding mathematic models.

Key words: high-throughput screening of drugs, mathematic models, qualify and quantify

中图分类号:

R965.1

李松军, 刘白玲, 胡杰. 高通量筛选技术中数学模型的建立[J]. 中国科学院大学学报, 2004, 21(3): 333-339.

LI SongJun, LIU BaiLing, HU Jie. Building of Mathematic Models for High-Throughput Screening[J]. , 2004, 21(3): 333-339.

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高通量筛选技术中数学模型的建立

Building of Mathematic Models for High-Throughput Screening

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