Synthesis of two testosterone derivatives and their theoretical evaluation as serotonin reuptake transporter inhibitors

This investigation aimed to synthesize two testosterone derivatives (4 and 7) from either testosterone 3-oxime or testosterone 3-(O-carboxymethyl)oxime. The chemical structure of the compounds was determined using nuclear magnetic resonance spectra. Besides, testosterone derivatives' theoretical activity on serotonin transporter (5i6z protein) was evaluated using fluoxetine as a control in a Docking model. The results showed a higher interaction of both compounds 4 and 7 with a 5i6z protein surface compared with fluoxetine. In conclusion, it's noteworthy that reagents used in this investigation no require special conditions. Also, the theoretical study showed that either compounds 4 or 7 could be good serotonin transporter inhibitors.