Molecular modeling studies to characterize N-phenylpyrimidin-2-amine selectivity for CDK2 and CDK4 through 3D-QSAR and molecular dynamics simulations-Reference-Cited by-同舟云学术

Molecular modeling studies to characterize N-phenylpyrimidin-2-amine selectivity for CDK2 and CDK4 through 3D-QSAR and molecular dynamics simulations

Published:2016 Issue:4 Volume:12 Page:1250-1268
ISSN:1742-206X
Container-title:Molecular BioSystems
language:en
Short-container-title:Mol. BioSyst.

Author:

Chohan Tahir Ali¹²³⁴,Chen Jiong-Jiong⁵⁶²³⁴,Qian Hai-Yan¹²³⁴,Pan You-Lu¹²³⁴,Chen Jian-Zhong¹²³⁴

Affiliation:

1. College of Pharmaceutical Sciences

2. Zhejiang University

3. Hangzhou

4. China

5. The Children's Hospital

6. School of Medicine

Abstract

Molecular modeling simulations were carried out to understand the structure–activity and selectivity correlation of N-phenylpyrimidin-2-amines binding to CDK2 and CDK4.

Publisher

Royal Society of Chemistry (RSC)

Subject

Molecular Biology,Biotechnology

Link

http://pubs.rsc.org/en/content/articlepdf/2016/MB/C5MB00860C

Reference50 articles.

1. The Cyclin-dependent Kinases cdk2 and cdk5 Act by a Random, Anticooperative Kinetic Mechanism

2. Mammalian cyclin-dependent kinases

3. Mice thrive without Cdk4 and Cdk2

4. Crystallographic Approach to Identification of Cyclin-dependent Kinase 4 (CDK4)-specific Inhibitors by Using CDK4 Mimic CDK2 Protein

5. CYCLIN-DEPENDENT KINASES: Engines, Clocks, and Microprocessors

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