Title
In silico-in vitro discovery of untargeted kinase-inhibitor interactions from kinase-targeted therapies: A case study on the cancer MAPK signaling pathway.
Abstract
•A noncognate interaction profile between MAPK kinases and approved inhibitors is created.•An integration of in silico analysis and in vitro assay is used to characterize the profile.•A number of putative MAPK–inhibitor pairs are identified.•The Regorafenib is suggested as a potential noncognate inhibitor of p38α kinase.
Year
DOI
Venue
2018
10.1016/j.compbiolchem.2018.05.012
Computational Biology and Chemistry
Keywords
Field
DocType
Mitogen-activated protein kinase,Kinase inhibitor,Untargeted interaction,Biomolecular modeling,Cancer
Cabozantinib,Crizotinib,Biology,Kinase,Cancer research,Regorafenib,MAPK/ERK pathway,Signal transduction,Bioinformatics,Protein kinase domain,Protein kinase A
Journal
Volume
ISSN
Citations 
75
1476-9271
0
PageRank 
References 
Authors
0.34
10
2
Name
Order
Citations
PageRank
Li Meng122.08
Zhijun Huang200.34