Theoretical evaluation of interaction of some dibenzo derivatives on both androgen receptor and 5α-reductase enzyme

There are several drugs to treat cancer; nevertheless, some can produce adverse effects, such as hypertension, hepatic injury, and erectile dysfunction. In the search for new therapeutic alternatives, some Dibenzo derivatives have been used for treating cancer; however, other data suggest that Dibenzo derivatives can increase this clinical pathology. All these data are confusing; perhaps this phenomenon is due to the different chemical structures of each Dibenzo-derivative. Analyzing this data, this research aimed to evaluate the possible interaction of some Dibenzo derivatives (compounds 1 to 15) on some biomolecules involved in prostate cancer, such as androgen receptor and 5α-reductase enzyme using flutamide, dutasteride, and finasteride drugs as theoretical tools in a Docking model. The results showed that some Dibenzo derivatives (9, 11, and 15) could interact with the androgen receptor surface. Besides, the Dibenzo derivatives 2, 5, and 13 may interact with the 5α-reductase enzyme surface. In conclusion, these data suggest that some Dibenzo derivatives could be good candidates for the treatment of prostate cancer.