More recently medical chemistry research has been focused on proteins that drive and control cell cycle progression. Among them, the cyclin dependent kinases (cdk’s) are a group of serine/threonine kinases, which rule the transition between successive stages of the cell cycle. The activity of cdk’s is regulated by multiple mechanisms, including binding to cyclins, which is a broad class of positive regulatory cdk-binding proteins. Among the chemical agents that act selectively as cdk inhibitors are flavonoids,flavopiridol is a semisynthetic flavonoid.Theoretical study is performed on flavopiridol using quantum chemical calculations. Interactions between flavopiridol with transition metals were studied at HF/6-31G*, and HF/6-311G** levels of theory. Method: Ab initio method at HF level of theory was used. Results: Conformations, optimized parameters, bond length, were computed for metalated and isolated flavopiridol. Conclusions: Flavopiridol can be Metalated from its binding sites (oxo and hydroxyl groups) and the energies of these compounds were computed. Abbreviations and notations: HF, Hartree-Fock; Cdk , Cyclin dependent kinases.
Monajjemi1, M., Passdar, H., Saedi, L., Ghiasi, R., & Mollaamin, F. (2004). Theoretical Study of Flavopiridol Binded to Transition Metals. Journal of Physical & Theoretical Chemistry, 1(1), 1-8.
MLA
M. Monajjemi1; H. Passdar; L. Saedi; R. Ghiasi; F. Mollaamin. "Theoretical Study of Flavopiridol Binded to Transition Metals". Journal of Physical & Theoretical Chemistry, 1, 1, 2004, 1-8.
HARVARD
Monajjemi1, M., Passdar, H., Saedi, L., Ghiasi, R., Mollaamin, F. (2004). 'Theoretical Study of Flavopiridol Binded to Transition Metals', Journal of Physical & Theoretical Chemistry, 1(1), pp. 1-8.
VANCOUVER
Monajjemi1, M., Passdar, H., Saedi, L., Ghiasi, R., Mollaamin, F. Theoretical Study of Flavopiridol Binded to Transition Metals. Journal of Physical & Theoretical Chemistry, 2004; 1(1): 1-8.
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