In Silico Screening of DrugBank Compounds as Potential Inhibitors for Human Steroid 5α-Reductase 2 for Androgen-Related Diseases
December 2023
in “
Biointerface Research in Applied Chemistry
”
TLDR Stiripentol shows promise as a potential treatment for androgen-related diseases but needs more testing.
The study conducted an in silico screening of 9,213 DrugBank compounds to find potential inhibitors for the enzyme Steroid 5α-reductase 2 (SRD5A2), which is associated with androgen-related diseases like alopecia. Eleven compounds showed better binding energy than testosterone, with mestranol, lorcaserin, phenindamine, and stiripentol interacting with key SRD5A2 residues. Stiripentol was highlighted as a promising candidate for drug repositioning due to its favorable interaction profile and mild side effects, forming a crucial hydrogen bond with E57. However, it did not interact with the R114 side chain, indicating the need for further in vivo trials to confirm its efficacy and safety for treating SRD5A2-related conditions.
