Structural bioinformatics study of cyclin-dependent kinases complexed with inhibitors

Main Article Content

Fernanda Canduri
Nelson José Freitas da Silveira
João Carlos Câmera Junior
Walter Filgueira de Azevedo Júnior

Abstract

The present work describes molecular models for the binary complexes CDK9, CDK5 and
CDK1 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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How to Cite
Canduri, F., da Silveira, N. J. F., Câmera Junior, J. C., & de Azevedo Júnior, W. F. (2003). Structural bioinformatics study of cyclin-dependent kinases complexed with inhibitors. Eclética Química, 28(1), 45–53. https://doi.org/10.26850/1678-4618eqj.v28.1.2003.p45-53
Section
Original articles

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