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Table 1 Substitution arrangement of 1,3-thiazine derivatives along with their NA inhibitory activities

From: Computational modelling studies of some 1,3-thiazine derivatives as anti-influenza inhibitors targeting H1N1 neuraminidase via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions

S. No.

R1

R2

Inhibition rates (%)

Activity

 

   

1

2-Cl-5-NO2

Et

39.94

0.1772

2

3-NO2

Et

16.21

0.7134

3

2-EtO

Et

37.18

0.2278

4

2-MeO

Et

68.08

-0.3290

5

4-Cl

Et

39.94

0.1772

6

3,4-diMeO

Et

29.65

0.3752

7

4-NO2

Et

60.40

-0.1833

8

4-N(Me)2

Et

19.86

0.6059

9

4-AcO

Et

25.62

0.4629

10

4-F

Et

37.04

0.2304

11

4-MeO

Et

10.25

0.9423

12

4-Me

Et

17.48

0.6740

13

3-Et-4AcO

Et

23.49

0.5128

14

2-NO2

t-Bu

52.30

-0.0400

15

3-NO2

(CH2)2OCH3

59.81

-0.1727

 

   

16

2-Cl-5-NO2

Et

34.37

0.2809

17

3-NO2

Et

9.79

0.9645

18

2-EtO

Et

19.28

0.6219

19

2-MeO

Et

23.78

0.5059

20

4-Cl

Et

14.11

0.7844

21

3,4-diMeO

Et

17.06

0.6868

22

4-N(Me)2

Et

21.22

0.5697

23

4-OH

Et

23.93

0.5023

24

4-F

Et

14.87

0.7578

25

4-MeO

Et

13.36

0.8119

26

4-Me

Et

8.03

1.0589

27

3-Et-4OH

Et

25.47

0.4663

28

2-NO2

t-Bu

17.66

0.6686

29

3-NO3

(CH2)2OCH3

11.98

0.8661