Table 2 Binding affinities (∆G in kcal/mol) of PFK and LPL with bioactive components of V. calvoana (∆G Energy (Kcal/mol)
Compound name | CID Numbers | Binding Affinity (kcal/mol) | Â |
|---|---|---|---|
| Â | Â | PFK | LPL |
Methanol | Â | Â | Â |
Valeric acid | 7991 | − 3.3 | − 4.2 |
Isovaleric acid | 10430 | − 3.7 | − 4.4 |
Cycloheptatriene; | 11000 | − 3.4 | − 4.5 |
Sterculic acid | 12921 | − 5.5 | − 5.9 |
Limonene oxide | 91496 | − 3.5 | − 5.4 |
Trans-vaccenic acid | 5281127 | − 3.5 | − 5.1 |
72–9 (e)-11-tetradecen-1-ol acetate | 5367650 | − 5.6 | − 4.9 |
N,n-bis(3-methylbutyl)hydroxylamine | 88536504 | − 3.6 | − 5.0 |
N-oleoylethanolamine | 5283454 | − 5.4 | − 5.6 |
Z-4-nonadecen-1-ol acetate | 5363395 | − 3.6 | − 5.4 |
1,26-hexacosanediol | 16747787 | − 3.3 | − 4.7 |
n-hexane | Â | Â | Â |
Palmitic acid | 985 − 4.8 | − 5.3 |  |
Furfuryl alcohol | 7361 | − 3.5 | − 4.0 |
Phytol | 5280435 | − 3.7 | − 5.8 |
Υ-homolinolenic acid | 5280581 | − 5.3 | − 5.4 |
9-methyl-z,z-10,12-hexadecadien-1-ol acetate | 5363214 | − 5.8 | − 5.4 |
Trans-2-tridecen-1-ol | 5364949 | − 3.3 | − 5.0 |
9,12,15-octadecatrien-1-ol | 5367327 | − 3.6 | − 5.4 |
Stearic acid | 5281 | − 4.8 | − 5.1 |
Nonadecane | 12401 | − 3.2 | − 4.9 |
8,9,13-trihydroxydocosanoic acid | 99112 | − 6.0 | − 5.6 |
Metformin (standard) | 4091 | − 5.0 | − 5.0 |