Table 2. Summary of docking scores (kcal mol−1) and RMSD values (Å) for AChE and Met receptors. Detailed residue-level interaction profiles are provided in the SI (Tables S2–S5).
| Compound | AChE | MET | ||
|---|---|---|---|---|
| S | RMSD | S | RMSD | |
| 1 | −6.01 | 1.16 | −6.70 | 0.87 |
| 2 | −5.85 | 1.23 | −6.65 | 1.26 |
| 3 | −8.06 | 1.40 | −8.74 | 1.27 |
| 4 | −7.38 | 1.02 | −5.06 | 1.04 |
| 5 | −8.08 | 1.59 | −6.51 | 1.18 |
| 7 | −7.34 | 1.64 | −8.06 | 1.46 |
| 8 | −7.38 | 1.25 | −7.16 | 1.40 |
| 9 | −6.97 | 1.55 | −7.05 | 1.91 |
| 10 | −5.18 | 1.94 | −6.82 | 0.83 |
| 11 | −7.15 | 1.52 | −6.34 | 1.42 |
| 12 | −7.09 | 1.02 | −6.46 | 1.49 |
| 13 | −6.42 | 0.78 | −5.44 | 0.99 |
| 14 | −4.45 | 0.94 | −5.98 | 1.59 |
| Chlorpyrifos | −6.72 | 1.94 | — | — |
| Redocked CCL (AChE) | −6.31 | 0.65 | — | — |
| Pyriproxyfen | — | — | −7.36 | 1.54 |
| Redocked CCL (MET) | — | — | −5.90 | 1.40 |