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. 2021 Aug 12;26(16):4895. doi: 10.3390/molecules26164895

Table 4.

The predicted structure design of 6-aminoquinoxaline derivatives (736) by AutoDock Tools 1.5.6.

graphic file with name molecules-26-04895-i002.jpg graphic file with name molecules-26-04895-i003.jpg
Compounds X Binding
Energy (kcal/mol)
Compounds Y Binding
Energy (kcal/mol)
7 NH2 −5.47 22 NH2 −5.25
8 F −5.39 23 F −5.40
9 Br −6.20 24 Br −6.13
10 I −6.30 25 I −6.25
11 Cl −6.01 26 Cl −5.92
12 graphic file with name molecules-26-04895-i004.jpg −5.26 27 graphic file with name molecules-26-04895-i005.jpg −4.80
13 graphic file with name molecules-26-04895-i006.jpg −6.34 28 graphic file with name molecules-26-04895-i007.jpg −6.23
14 graphic file with name molecules-26-04895-i008.jpg −6.53 29 graphic file with name molecules-26-04895-i009.jpg −6.84
15 graphic file with name molecules-26-04895-i010.jpg −6.72 30 graphic file with name molecules-26-04895-i011.jpg −6.50
16 Methyl −5.94 31 Methyl −5.86
17 Ethyl −6.53 32 Ethyl −6.56
18 graphic file with name molecules-26-04895-i012.jpg −6.56 33 graphic file with name molecules-26-04895-i013.jpg −6.56
19 CN −6.66 34 CN −6.11
20 OH −5.83 35 OH −5.66
21 graphic file with name molecules-26-04895-i014.jpg −7.13 36 graphic file with name molecules-26-04895-i015.jpg −6.89
Thioflavin T −8.29 -