OPTIMIZATION OF THE BIOLOGICAL-ACTIVITY OF COMBINATORIAL COMPOUND LIBRARIES BY A GENETIC ALGORITHM

被引：155

作者：

WEBER, L

WALLBAUM, S

BROGER, C

GUBERNATOR, K

机构：

[1] Pharma Division, F. Hoffmann-La Roche AG, Basel

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH | 1995年 / 34卷 / 20期

关键词：

COMBINATORIAL CHEMISTRY; COMPOUND LIBRARIES; ENZYME INHIBITORS; GENETIC ALGORITHM; MULTICOMPONENT REACTIONS;

D O I：

10.1002/anie.199522801

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Artificial evolutionary synthesis can be used to find biologically active compounds out of a library of 160000 possible Ugi‐type reaction products by using an enzymatic assay (thrombin) as the feedback loop function. Thus, a reaction in generation 18 gave compound 1, which exhibits the structural features of known thrombin inhibitors and inhibits the enzyme effectively (Ki = 0.22 μM). (Figure Presented.) Copyright © 1995 by VCH Verlagsgesellschaft mbH, Germany

引用

页码：2280 / 2282

页数：3

共 10 条

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