3D-QSAR studies of checkpoint kinase 1 inhibitors based on molecular docking and CoMFA

3D-QSAR studies of checkpoint kinase 1 inhibitors based on molecular docking and CoMFA

Three-dimensional quantitative structure–activity relationship (3D-QSAR) studies were performed on a series of substituted 1,4-dihydroindeno[1,2-c]pyrazoles inhibitors, using molecular docking and comparative molecular field analysis (CoMFA). The docking results from GOLD 3.0.1 provide a reliable co...

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Bibliographic Details
Main Authors: Wang, R., Zhou, L., Zuo, Zhili, Ma, X., Yang, M.
Format: Journal Article
Published: Taylor & Francis Ltd 2010
Subjects:
checkpoint kinase 1 (CHK1)
CoMFA
3D-QSAR
substituted 1
4-dihydroindeno[1
molecular docking
2-c]pyrazoles
Online Access:http://hdl.handle.net/20.500.11937/25978

Internet

http://hdl.handle.net/20.500.11937/25978

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