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Table 6 Results of molecular docking

From: 2D, 3D-QSAR and docking studies of 1,2,3-thiadiazole thioacetanilides analogues as potent HIV-1 non-nucleoside reverse transcriptase inhibitors

Serial number

ID

G-Score

LipophilicEvd W

H-bond

Electro

1

7d1

−12.29

−7.22

−0.65

0.01

2

Efavirenz

−11.61

−5.59

−0.7

−0.21

3

7c5

−11.29

−6.7

−0.7

−0.36

4

7c4

−11.17

−6.53

−0.7

−0.35

5

7d3

−11.09

−7.6

−0.51

−0.11

6

7d4

−10.97

−7.99

0

−0.11

7

7c3

−10.95

−6.51

−0.7

−0.2

8

7d6

−10.9

−6.79

−0.7

−0.37

9

7c1

−10.83

−6.21

−0.7

−0.33

10

7b4

−10.81

−6.13

−0.68

−0.21

11

Zidovudine

−10.81

−3.68

−2.17

−0.47

12

7b1

−10.75

−6.03

−0.7

−0.25

13

7b2

−10.75

−6.77

−0.57

0.12

14

7d5

−10.6

−6.93

−0.7

−0.38

15

7b5

−10.46

−6.17

−0.6

−0.2

16

7b6

−10.38

−6.65

−0.7

−0.36

17

7a7

−10.33

−6.74

−0.7

−0.3

18

7b7

−10.15

−6.58

−0.7

−0.25

19

7a1

−10.15

−5.46

−0.61

−0.19

20

7c2

−10.13

−6.27

−0.67

−0.16

21

7a5

−10.05

−6.67

−0.7

−0.44

23

7a4

−9.98

−6.52

−0.7

−0.37

24

7a6

−9.92

−7.37

0

−0.11

25

Delavirdine

−9.89

−7.63

−1.27

−0.74

26

7d2

−9.47

−6.98

0

−0.05

27

Nevirapine

−6.59

−4.88

0

−0.1