Molecular Modeling and Design Studies of Purine Derivatives as Novel CDK2 Inhibitors

Molecular Modeling and Design Studies of Purine Derivatives as Novel CDK2 Inhibitors

Cyclin-dependent kinase 2 (CDK2) is a potential target for treating cancer. Purine heterocycles have attracted particular attention as the scaffolds for the development of CDK2 inhibitors. To explore the interaction mechanism and the structure⁻activity relationship (SAR) and to design nove...

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Bibliographic Details
Main Authors:	Gaomin Zhang, Yujie Ren
Format:	Article
Language:	English
Published:	MDPI AG 2018-11-01
Series:	Molecules
Subjects:	CDK2 3D-QSAR virtual screening molecular docking lead compound optimization molecular dynamics
Online Access:	https://www.mdpi.com/1420-3049/23/11/2924

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