Preparation of two steroid derivatives and its theoretical interaction with a 17β‐hydroxysteroid dehydrogenase type 1

Abstract

The aim of this study was synthesizing two steroid derivatives to evaluate their theoretical interact with a 17β‐hydroxysteroid dehydrogenase type 1. The first stage was achieved by the preparation of a steroid-imino analog (compound 2) using a reaction of imination and ii) etherification. Then, the theoretical interact of two steroid analogs with 17β‐hydroxysteroid dehydrogenase type 1 (1IOL) was evaluated using fisetin and methyl paraben as controls in a docking model. The results suggest that steroid derivatives could interact via a different type of aminoacid residues of 1IOL protein surface. However, the compound 2 showed a constant of inhibition lower compared with fisetin, methyl paraben and compound 3. All these data indicate that steroid derivative could act as 17β‐hydroxysteroid dehydrogenase type 1 inhibitor.