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Table 4 Docking score and binding energy of bis-pyrimidine derivatives

From: Reverse pharmacophore mapping and molecular docking studies for discovery of GTPase HRas as promising drug target for bis-pyrimidine derivatives

Compound no

Docking score

Binding energy

1.

6.51

− 58.2

2.

6.10

− 54.5

3.

6.43

− 52.5

4.

7.42

− 62.6

5.

5.91

− 54.9

6.

6.86

− 62.7

7.

7.01

− 60.2

8.

6.05

− 58.4

9.

6.30

− 52.3

10.

5.70

− 56.9

11.

6.62

− 56.8

12.

7.86

− 65.5

13.

5.60

− 58.4

14.

5.91

− 58.2

15.

6.70

− 62.5

16.

8.13

− 64.8

17.

5.81

− 54.8

18.

7.90

− 68.2

19.

6.74

− 54.8

20.

7.06

− 62.6

GTP

4.97

− 48.7