Screening of Synthetic and Natural Product Databases: Identification of Novel Androgens and Antiandrogens
November 2014
in “
European journal of medicinal chemistry
”
TLDR Researchers found new potential treatments for conditions related to the androgen receptor, like male hormonal contraception, by testing thousands of compounds.
In the 2015 study, researchers developed a method to identify new ligands for the androgen receptor (AR) by screening around 39,000 compounds from synthetic and natural product databases. Using a two-step virtual screening process, they narrowed down to 94 compounds, which were then tested for AR binding affinity. Thirty compounds showed more than 50% relative binding affinity compared to dihydrotestosterone, with 11 compounds showing high affinity and further analyzed for their potential as androgens or antiandrogens. These 11 compounds were tested on prostate cancer cell lines, and six exhibited androgenic or antiandrogenic activity. The study concluded that the identified compounds, especially the 19-nortestosterone derivatives, could be useful in developing new treatments for AR-related conditions, such as hormonal contraception for men. The study did not involve human subjects as it was based on compound screening and in vitro assays.
