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. 2026 Mar 19;16(17):15674–15696. doi: 10.1039/d6ra00490c

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