Table 4.
MMGBSA energy calculated for the test compounds and their hypothetical aglycone.
| Ligand | MMGBSA energya |
|---|---|
|
| |
| Palmatine | −64.08 |
| Cordifoliside C | −62.96 |
| Tinosinen | −61.23 |
| N-trans-feruloyl tyramine | −60.20 |
| Borapetoside B aglycone | −59.98 |
| Magnoflorine | −59.05 |
| Borapetoside F aglycone | −57.32 |
| Borapetoside C | −53.74 |
| Borapetoside C aglycone | −53.57 |
| Columbin | −52.16 |
| Tinosineside A | −48.92 |
| Jatrorrhizine | −47.59 |
| (2R, 5R,6R,8R,9S,10S, 12S) -15,16-epoxy-2-hydroxy-6-O-(β-D-glucopyranosyl) -cleroda-3,13(16),14-trien-17,12-olid-18-oic acid methyl ester-aglycone | −47.20 |
| Borapetoside B | −45.72 |
| Tinosineside A aglycone | −42.73 |
| Borapetoside F | −37.79 |
| Cycloeucalenol | −37.47 |
| Baenzigeride A | −37.24 |
a
The relative energy is calculated in kcal/mol.