Synthesis and docking study of 2-phenylaminopyrimidine Abl tyrosine kinase inhibitors.
Bioorganic & Medicinal Chemistry Letters(2011)
摘要
A robust virtual screening method has been developed based on the crystal structure (PDB code 2hyy) of Abl-imatinib complex using Surflex-Docking to screen six analogs of imatinib newly synthesized as potential Abl kinase inhibitors.
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关键词
Abl kinase,Imatinib analogs,Synthesis,Docking analysis,Virtual screening
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