Table 3 The docking scores and binding free energies of dicofol, bromopropylate, chlorobenzilate, DDT and abamectin components AVM B1a and AVM B1b with TuGluCl3 wild type (WT), TuGluCl3 G326E and DmGluClα.

From: A glutamate-gated chloride channel as the mite-specific target-site of dicofol and other diphenylcarbinol acaricides

Compound

Docking score

Binding energy (kJ mol-1)

TuGluCl3

DmGluClα

TuGluCl3

DmGluClα

WT

G326E

WT

G326E

Dicofol

6.85

3.86

3.49

−39.09

−22.02

−19.91

Bromopropylate

5.09

3.03

—a

−29.04

−17.29

—

Chlorobenzilate

5.19

2.95

—

−29.61

−16.83

—

DDT

2.71

—

—

−15.46

—

—

AVM B1a

6.65

2.48

6.42

−37.94

−14.15

−36.63

AVM B1b

6.63

2.36

6.37

−37.83

−13.47

−36.35

  1. aa horizontal line indicates not assessed.
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