Synthesis and theoretical activity of three steroid-derivatives on both aromatase and 17β-hydroxysteroid dehydrogenase Type 1 enzymes

Abstract

Breast cancer is the most common malignancy in the worldwide. It is noteworthy, that several drugs are used for cancer breast; nevertheless, some these drugs can produce secondary effects such as changes in blood pressure, bone loss and others. The objective of this investigation was synthesizing three steroid derivatives (compounds 4, 5 and 6) to evaluate their theoretical activity against both aromatase (2W3D) and 17β-Hydroxysteroid dehydrogenase Type 1 (3BH4) enzymes using fisetin and exemestane as control in a docking model. The data found indicate that compound 5 could exert a greater interaction with the 2WD4 and 3BH4 proteins in comparison with fisetin, exemestane and compounds 4 or 6. In conclusion, this compound could be a good candidate as both aromatase and 17β-hydroxysteroid dehydrogenase enzymes inhibitor.