Structural and Modeling Studies on ecto-5′-nucleotidase Aiding in Inhibitor Design

被引：6

作者：

Furtmann, Norbert ^{[1
,2
]}

Bajorath, Juergen ^{[1
]}

机构：

[1] Univ Bonn, Dept Life Sci Informat, B IT, LIMES Program Unit Chem Biol & Med Chem, D-53113 Bonn, Germany

[2] Univ Bonn, Inst Pharmaceut, D-53121 Bonn, Germany

来源：

MINI-REVIEWS IN MEDICINAL CHEMISTRY | 2015年 / 15卷 / 01期

关键词：

Catalytic mechanism; computational design; Ecto-5 '-nucleotidase; inhibitors; virtual screening; x-ray crystallography; ESCHERICHIA-COLI 5'-NUCLEOTIDASE; BENDING DOMAIN ROTATION; CANCER CELL-GROWTH; CRYSTAL-STRUCTURE; TUMOR-GROWTH; CD73; ADENOSINE; DISCOVERY; PROTEINS; ECTO-5-NUCLEOTIDASE;

D O I：

10.2174/1389557515666150219112630

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Ecto-5'-nucleotidase (e5NT) hydrolyzes extracellular nucleotides and contributes to purinergic signaling. e5NT is implicated in a variety of pathological states including immunological diseases and cancer and represents an emerging drug target. Herein, we review structural and computational studies that have helped to better understand ligand binding characteristics and mechanistic features of the enzyme and led to the identification of new classes of e5NT inhibitors.

引用

页码：34 / 40

页数：7

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