Abstract

VIVAS-REYES, Ricardo; GUETO TETTAY, Carlos  and  TORRES CASTELLAR, Juan E. Study of sulfonanilide analogues acting as suppressants of the aromatase expression. Acta bioquím. clín. latinoam. [online]. 2009, vol.43, n.4, pp.593-600. ISSN 0325-2957.

A three-dimensional quantitative structure-activity relationship study was performed with new Sulfonanilide analogue molecules acting as aromatase expression and activity suppressors in breast cancer cells independent of COX-2 inhibition. The molecular supression of the ligands in the grid was carried out by the DATA-BASE ALIGNMENT method. The best model formed by combining the esteric fields and hydrophobic fields yielded the following parameters: q² = 0.613 with seven components, not validated R² equal to 0.976, with an F value of 81.695, 0.347 and 0.047 for the standard errors of prediction and estimate, respectively. The contribution of esteric and hydrophobic fields was 50.5 and 49.5% respectively. data generated from this study may be used to design new and more potent selective aromatase expression regulators.

Keywords : Breast cancer; Sulfonanilide; Comparative similarity indices analysis CYP19 gen; Ciclooxigenase-2; Selective aromatase expression regulators.

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