Correlation between host-guest binding and host amplification in simulated dynamic combinatorial libraries

被引：87

作者：

Corbett, PT ^{[1
]}

Otto, S ^{[1
]}

Sanders, JKM ^{[1
]}

机构：

[1] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England

来源：

CHEMISTRY-A EUROPEAN JOURNAL | 2004年 / 10卷 / 13期

关键词：

combinatorial chemistry; computer simulations; host-guest systems; templated synthesis; thermodynamics;

D O I：

10.1002/chem.200400300

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We present a versatile computer model of diverse dynamic combinatorial libraries, and examine how molecular recognition between library members and a template can be used to amplify the best binders. The correlation between host-guest binding and amplification was examined for a set of 50 libraries with > 300 components each over a wide range of template and building block concentrations. Depending on these concentrations correlations vary from poor (when using a large excess of template) to good (for very dilute libraries and/or substoichiometric template concentrations), highlighting the need to choose the experimental conditions for dynamic combinatorial libraries thoughtfully.

引用

页码：3139 / 3143

页数：5

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