Experimental Assessment of 3-Meta-Pyridine-1,2,4-Oxadiazole Deoxycholic Acid Derivative as a Prototype of 5-Alpha-Reductase Inhibitors in Silico and in Vivo Models

The study proposes a 3-meta-pyridine-1,2,4-oxadiazole derivative of deoxycholic acid as a low-toxic prototype of 5-α-reductase inhibitors, showing it can penetrate the 5-AR binding site similarly to finasteride. Both compounds have comparable binding energy values (–20 and –15 kcal/mol). In rat models of benign prostatic hyperplasia (BPH), the new agent at 20 mg/kg and finasteride at 10 mg/kg demonstrated similar prostatoprotective effects. The new agent is less toxic, with an LD50 value in mice of >1500 mg/kg compared to 1060 mg/kg for finasteride, suggesting it is a promising candidate for preclinical testing.