Table 2 Binding energy of selected substrates for Ws SGTL1 and Ws SGTL4 proteins
Ligands | Binding energy (kcal/mol) | |
|---|---|---|
Sterols | Ws SGTL1 | Ws SGTL4 |
β-Sitosterol | −9.44 | −8.36 |
Brassicasterol | −11.36 | −7.97 |
Deactyl-16-DPA | −8.54 | −8.0 |
Dehydroepiandrosteron | −8.28 | −7.57 |
Epoxypregnenolone | −7.14 | −6.25 |
Ergosterol | −9.71 | −8.21 |
Pregnenolone | −8.97 | −7.88 |
Solasodine | −9.42 | −9.4 |
Stigmasterol | −9.42 | −9.4 |
Transandrosterone | −9.95 | −8.44 |
24-methylene cholesterol | −9.75 | −8.65 |
Withanolides | Â | Â |
Withaferin A | −10.21 | −9.14 |
Withanolide A | −9.28 | −10.51 |
Withanolide B | −9.19 | −9.21 |
Withanolide D | −9.28 | −8.96 |