Bisarylureas Based on 1H-Pyrazolo[3,4-d]pyrimidine Scaffold as Novel Pan-RAF Inhibitors with Potent Anti-Proliferative Activities: Structure-Based Design, Synthesis, Biological Evaluation and Molecular Modelling Studies

Bisarylureas Based on 1H-Pyrazolo[3,4-d]pyrimidine Scaffold as Novel Pan-RAF Inhibitors with Potent Anti-Proliferative Activities: Structure-Based Design, Synthesis, Biological Evaluation and Molecular Modelling Studies

RAF (Ras activating factor) kinases are important and attractive targets for cancer therapy. With the aim of discovering RAF inhibitors that bind to DFG-out inactive conformation created by the movement of Asp-Phe-Gly (DFG), we conducted structure-based drug design using the X-ray cocrystal structur...

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Bibliographic Details
Main Authors: Yu Fu, Yuanyuan Wang, Shanhe Wan, Zhonghuang Li, Guangfa Wang, Jiajie Zhang, Xiaoyun Wu
Format: Article
Language:English
Published: MDPI AG 2017-03-01
Series:Molecules
Subjects:
DFG-out
pan-RAF inhibitor
1H-pyrazolo[3,4-d]pyrimidine derivatives
biological activities
molecular docking
molecular dynamics simulation
Online Access:http://www.mdpi.com/1420-3049/22/4/542

Internet

http://www.mdpi.com/1420-3049/22/4/542

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