Molecular models of cyclin-dependent kinase 4 complexed with indirubin and its analogues

被引：0

作者：

Zhang, N ^{[1
]}

Jiang, YN ^{[1
]}

Zou, JW ^{[1
]}

Zeng, M ^{[1
]}

Hu, GX ^{[1
]}

Yu, QS ^{[1
]}

机构：

[1] Zhejiang Univ, Ningbo Inst Technol, Key Lab Mol Design & Nutr Engn, Ningbo 315104, Peoples R China

来源：

ACTA CHIMICA SINICA | 2005年 / 63卷 / 09期

关键词：

cyclin-dependent-kinase; indirubin; homology modeling; molecular docking; anticancer;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Indirubin and its analogue, indirubin-5-sulphonic acid, have shown potent ability to inhibit cyclin-dependent-kinases (CDKs). Using the crystal structure of CDK2 complexed with indirubin-5sulphonate as the template, models of CDK4 complexed with indirubin and its analogue were built by homology modeling and molecular docking. The structure comparisons of CDK4 with indirubin and its analogue could explain different inhibition ability. Moreover, the different activity of indirubin-5-sulphonic acid complexed with CDK2 and CDK4 was also illustrated. The model structure provided the basis for designing more potent anticancer drug.

引用

页码：809 / 813

页数：5

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