Molecular Models of Cyclin-dependent Kinase 4 Complexed with Indirubin and Its Analogues

Acta Chimica Sinica ›› 2005, Vol. 63 ›› Issue (9): 809-813. Previous Articles Next Articles

Original Articles

CDK4与靛玉红及其衍生物复合物结构的模建

张娜，蒋勇军*，邹建卫，曾敏，胡桂香，俞庆森

(浙江大学宁波理工学院分子设计与营养工程市重点实验室宁波 315104)

投稿日期:2004-07-05 修回日期:2005-01-07 发布日期:2010-12-10
通讯作者: 蒋勇军

Molecular Models of Cyclin-dependent Kinase 4 Complexed with Indirubin and Its Analogues

ZHANG Na, JIANG Yong-Jun*, ZOU Jian-Wei, ZENG Min, HU Gui-Xiang, YU Qing-Sen

(Key Laboratory for Molecular Design and Nutrition Engineering, Ningbo Institute of Technology,
Zhejiang University, Ningbo 315104)

Received:2004-07-05 Revised:2005-01-07 Published:2010-12-10
Contact: JIANG Yong-Jun

Abstract

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-5- sulphonate 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.

Key words: cyclin-dependent-kinase, indirubin, homology modeling, molecular docking, anticancer

Cite this article

ZHANG Na, JIANG Yong-Jun*, ZOU Jian-Wei, ZENG Min, HU Gui-Xiang, YU Qing-Sen. Molecular Models of Cyclin-dependent Kinase 4 Complexed with Indirubin and Its Analogues[J]. Acta Chimica Sinica, 2005, 63(9): 809-813.

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CDK4与靛玉红及其衍生物复合物结构的模建

Molecular Models of Cyclin-dependent Kinase 4 Complexed with Indirubin and Its Analogues

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