Similarity based virtual screening: A tool for targeted library design

被引：35

作者：

Alvesalo, JKO

Siiskonen, A

Vainio, MJ

Tammela, PSM

Vuorela, PM

机构：

[1] Univ Helsinki, Fac Pharm, Drug Discovery & Technol Dev Ctr, FIN-00014 Helsinki, Finland

[2] Lead Pharmaceut Ltd, Helsinki, Finland

[3] Abo Akad Univ, Dept Biochem & Pharm, FIN-20520 Turku, Finland

来源：

JOURNAL OF MEDICINAL CHEMISTRY | 2006年 / 49卷 / 07期

关键词：

D O I：

10.1021/jm051209w

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

High throughput screening drug discovery utilizes large and expensive compound libraries. As an alternative, a smaller targeted library can be constructed with the aid of the 3D structure of the target molecule. We used the X-ray crystal structure of a protein homologous to the selected target in creation of a small focused library and evaluated inhibition potential of this library against Chlamydia pneumoniae, a common pathogen recently linked to atherosclerosis and risk of myocardial infarction.

引用

收藏

页码：2353 / 2356

页数：4

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