Table 2. Testosterone, finasteride, SRE phytosterols and SRE fatty acids binding energies (kcal/mol) obtained with PyRosetta, using 5BR as a target protein.
| Substrates | Unproductive position | Productive position |
|---|---|---|
| Testosterone | −7 | −11 |
| Finasteride | −6 | −27 |
| β-sitosterol | −2 | −28 |
| Stigmasterol | 0.1 | −29 |
| Campesterol | 0.5 | −8 |
| Daucosterol | −34 | −30 |
| Oleic acid | −12 | −34 |
| Lauric acid | −3 | Not binding |
| Myristic acid | −8 | −20 |
| Palmitic acid | −12 | −13 |
| Linoleic acid | −7 | −28 |