SciELO - Scientific Electronic Library Online

 
vol.28 issue1Potentiometric determination of captopril in pharmaceutical formulationsAbout the kinetics and mechanism of the reactions of 4-(2-pyridylazo)-resorcinol, with Zn2+, Cu2+ and Zn2++Cu2+ equimolar mixtures, in aqueous solutions author indexsubject indexarticles search
Home Pagealphabetic serial listing  

Eclética Química

Print version ISSN 0100-4670

Abstract

CANDURI, F.; SILVEIRA, N. J. F. da; CAMERA JR, J. C.  and  AZEVEDO JR, W. F. de. Structural bioinformatics study of cyclin-dependent kinases complexed with inhibitors. Eclet. Quím. [online]. 2003, vol.28, n.1, pp. 45-53. ISSN 0100-4670.  http://dx.doi.org/10.1590/S0100-46702003000100006.

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.

Keywords : CDK; Flavopiridol; bioinformatics; structure; drug design.

        · abstract in Portuguese     · text in English     · pdf in English