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Table 2 Molecular docking and interaction energies of isolated compounds from G. laxum

From: Chemical constituents from a Gynostemma laxum and their antioxidant and neuroprotective activities

 

CDOCKER energy

CDOCKER interaction energy

Wild type

C151W mutation

Wild type

C151W mutation

SFN

−20.7 ± 0.5c

−19.1 ± 1.0e,*

−19.1 ± 0.4bc

−17.8 ± 0.9a

1

−19.3 ± 0.7c

−22.5 ± 0.4g,**

−18.1 ± 0.6b

−21.1 ± 0.4b,##

2

−26.6 ± 0.2e

−21.4 ± 0.4fg,**

−28.9 ± 0.1de

−23.8 ± 0.4c,##

3

−23.8 ± 0.5d

−18.2 ± 0.7de,**

−29.2 ± 1.2de

−24.1 ± 0.8c,#

4

−24.7 ± 0.4de

−20.8 ± 0.1f,**

−30.8 ± 0.5e

−26.5 ± 0.3e,#

5

−16.2 ± 0.4b

−11.0 ± 1.1b,**

−30.1 ± 0.6de

−26.1 ± 1.1de,#

6

−15.3 ± 0.4ab

−9.3 ± 0.6a,***

−29.4 ± 0.5de

−24.0 ± 1.0c,##

7

−14.0 ± 0.3a

−9.0 ± 0.2a,***

−29.7 ± 0.9de

−24.5 ± 0.1cd,#

8

−19.9 ± 0.1c

−14.1 ± 0.2c,***

−31.3 ± 0.4e

−25.0 ± 0.3cde,###

9

−14.8 ± 0.5ab

−9.8 ± 0.4ab,**

−27.7 ± 0.4d

−23.3 ± 1.0c,#

10

−13.6 ± 1.0a

−17.4 ± 0.2d,*

−14.7 ± 1.1a

−18.6 ± 0.1a,#

11

−21.0 ± 1.7c

−22.4 ± 0.4g

−21.4 ± 1.8c

−23.2 ± 0.2c

  1. Values with different letters are significantly different from each other (ANOVA followed by Tukey’s post hoc multiple range test, p < 0.05). The triple best fits were selected by CDOCER analysis using discovery studio 4.0. SFN, a representative antioxidant, and a C151 residue modifier, was used as a positive control. The significance was analyzed by the post hoc Turkey method (* p < 0.05, ** p < 0.01, *** p < 0.001 compared to the wild type of Keap1 in CDOCKER energy, # p < 0.05, ## p < 0.01, ### p < 0.001 compared to the wild type of Keap1 in CDOCKER interaction energy)