Table 2.
Docking score values and relative DNA configurational energy calculated by using the in-silico approach for each of the selected aptamer towards target mycotoxin. ΔG0 is estimated as the sum of docking score and configurational energy.
| Target Mycotoxin | Aptamer Name | Docking Score (kcal/mol) |
Configurational Energy (kcal/mol) |
Best Estimated ΔG0 (kcal/mol) |
|---|---|---|---|---|
| Fumonisin B1 (FB1) |
FB1_39 | −5.50 6.70 −9.04 −9.25 |
0.0 0.1 0.7 1.6 |
−8.34 |
| FB1_39t3 | −11.33 | 0.0 | −11.33 | |
| FB1_10 | 10.98 1.19 −5.58 |
0.0 4.89 9.76 |
4.18 | |
| Aflatoxin B1 (AFB1) |
AF_AB3 | −9.20 | 0.0 | −9.20 |
| AF_APT1 | −10.66 −11.16 −11.72 |
0.0 0.8 1.9 |
−10.66 | |
| Ochratoxin A (OTA) | 1.12.2 | −10.38 | 0.0 | −10.38 |
| A08 | −17.08 | 0.0 | −17.08 | |
| A08min | −12.05 | 0.0 | −12.05 | |
| H8 | −12.91 | 0.0 | −12.91 | |
| H12 | −9.98 | 0.0 | −9.98 |