Table 3.
Free energy of binding interaction of metabolites from blue corn and black bean extracts with target proteins.
| Ligand | Free energy of binding (kcal/mol)Target proteins |
||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| GK | AMPK | 11β-HS | IRS | 9ILB | DPPIV | CRP | GFAT | PPARG | PTP | RTKs | PKB | IR | |
| C3G | +5.72 | -4.18 | -6.27 | -5.16 | +188.92 | -4.54 | +522.2 | -6.10 | -7.32 | -5.85 | -5.95 | -5.20 | -3.82 |
| C4H | +17.36 | -0.20 | -5.44 | -1.38 | +146.78 | -2.03 | -4.27 | -2.87 | -1.45 | -4.45 | -1.20 | -3.56 | -3.92 |
| C3S | +1.13 | +194.43 | -3.04 | +340.48 | +123.71 | +0.04 | -3.34 | -1.12 | +14.61 | -0.97 | -0.34 | -1.70 | -2.56 |
| DAD | +87.33 | +23.84 | -6.00 | +7.37 | +804.47 | -1.28 | -5.45 | -2.56 | -0.39 | -3.12 | -3.74 | -3.42 | -1.49 |
| P3G | -3.78 | -4.52 | -4.60 | -4.14 | +704.48 | -1.13 | -3.76 | -2.38 | -1.47 | -3.47 | -3.33 | -2.41 | -3.75 |
| AOH | +459.35 | +17.13 | -5.92 | -1.94 | +559.53 | -2.02 | -4.27 | -3.51 | -0.88 | -4.16 | -2.01 | -2.41 | -2.84 |
| CFA | -3.25 | -5.08 | -4.45 | -4.29 | -4.53 | -3.59 | -3.31 | -4.64 | -5.56 | -5.12 | -4.45 | -4.35 | -3.92 |
| CQA | +21.91 | +0.36 | -5.10 | -1.05 | +280.23 | -1.10 | -4.63 | -3.08 | -1.14 | -2.69 | -1.04 | -2.76 | -3.57 |
| CCG | +2.40 | +1.63 | +1.67 | +1.75 | +3.74 | -0.69 | -3.40 | +1.43 | +88.82 | -0.11 | -0.67 | +0.17 | -1.29 |
| CMG | +1.7 | +131.03 | -4.37 | +85.38 | +1.29 | -0.91 | -2.73 | -0.64 | +24.00 | -1.70 | -4.72 | +0.32 | -2.51 |
| PCA | -3.32 | -3.53 | -3.98 | -2.75 | -0.30 | -2.26 | -3.57 | -2.94 | -2.89 | -3.79 | -1.66 | -3.98 | -1.43 |
| FRA | -1.52 | -3.64 | -4.28 | -2.60 | +15.92 | -2.67 | -3.96 | -3.11 | -3.16 | -4.02 | -2.88 | -3.53 | -3.57 |
| Q3G | +427.69 | +37.53 | -5.18 | +46.58 | +495.79 | -1.85 | -4.47 | -2.83 | +26.43 | -4.05 | -2.91 | -2.62 | -2.48 |
| D3G | +8.85 | -4.44 | -6.59 | -5.11 | -4.21 | -5.33 | +528.2 | -6.38 | -6.88 | -6.22 | -6.62 | -5.34 | -3.73 |
| GAA | -2.27 | -3.35 | -3.76 | -2.66 | -4.53 | -2.43 | -3.74 | -2.71 | -2.65 | -3.37 | -3.23 | -2.80 | -4.38 |
| K3G | +168.41 | +50.66 | -5.34 | +14.47 | +80.31 | -1.92 | -4.84 | -2.38 | +3.10 | -4.66 | -4.17 | -1.81 | -4.06 |
| M3G | +12.0 | -3.44 | -5.48 | -5.04 | +256.6 | -4.82 | +494.6 | -5.44 | -5.66 | -5.17 | -5.49 | -5.01 | -2.59 |
| DHA | -2.44 | -3.37 | -3.36 | -2.17 | +1.06 | -1.72 | -3.33 | -2.94 | -2.90 | -3.23 | -3.63 | -3.32 | -0.29 |
| Q3R | -5.11 | -4.40 | -2.75 | -3.66 | -2.79 | -5.05 | -2.22 | -3.58 | -1.95 | -2.75 | -2.00 | -1.02 | -1.03 |
| PTG | +8.90 | -4.96 | -6.87 | -5.47 | +277.25 | -5.81 | +609.64 | -5.93 | -5.78 | -6.24 | -6.21 | +277.25 | -3.75 |
| P3M | +1.13 | +160.14 | -3.34 | +252.03 | +977.39 | -0.67 | -3.17 | -1.13 | +1.64 | -1.29 | -1.18 | -1.28 | -2.73 |
| MYG | +431.71 | +46.61 | -4.88 | +151.67 | +1.01 | -1.69 | -1.90 | -2.86 | +2.12 | -3.94 | -1.05 | -2.27 | -3.80 |
| CAT | -2.39 | -5.15 | -5.42 | -4.15 | +69.22 | -4.25 | +152.3 | -5.24 | -6.30 | -5.20 | -4.95 | -5.50 | -4.12 |
| K3X | -2.02 | -1.80 | -4.04 | -3.63 | +184.71 | -3.98 | -4.75 | -3.71 | -187 | -0–90 | --2.61 | -3.33 | -1.91 |
| SIT | +6.92 | -1.88 | -5.18 | -3.81 | +187.74 | -4.68 | -4.30 | -5.77 | -4.07 | -6.21 | -3.60 | -4.87 | -1.40 |
| MET | -5.32 | -3.79 | -2.91 | -4.56 | -3.55 | -4.46 | -4.38 | -3.68 | -4.54 | -2.28 | -2.53 | -4.41 | -4.11 |