Keywords
flavopiridol
bioinformatics
structure
drug design
How to Cite
Abstract
The present work describes molecular models for the binary complexes CDK9, CDK5 andCDK1 complexed with Flavopiridol and Roscovitine. These structural models indicate that the inhibitors
strongly bind to the ATP-binding pocket of CDKs and the structural comparison with the complexes
CDK2:Flavopiridol and CDK2:Roscovitine correlates the structural differences with differences in
inhibition of these CDKs by the inhibitors. These structures open the possibility of testing new inhibitor
families, in addition to new substituents for the already known lead structures such as flavones and
adenine derivatives.
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