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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