Discovery and design of tricyclic scaffolds as protein kinase CK2 (CK2) inhibitors through a combination of shape-based virtual screening and structure-based molecular modification.

Sun, Haopeng

Discovery and design of tricyclic scaffolds as protein kinase CK2 (CK2) inhibitors through a combination of shape-based virtual screening and structure-based molecular modification. [electronic resource] - Journal of chemical information and modeling Aug 2013 - 2093-102 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

1549-960X

10.1021/ci400114f doi


Casein Kinase II--antagonists & inhibitors
Cell Line, Tumor
Cell Proliferation--drug effects
Drug Design
Drug Evaluation, Preclinical
Humans
Models, Molecular
Naphthyridines--chemistry
Phenazines
Protein Conformation
Protein Kinase Inhibitors--chemistry
Software
User-Computer Interface