Table 2 Docking scores of gatifloxacin, moxifloxacin and their new derivatives with respect the four mutant and the wild type receptors
Ligand No. | First mutant Codon 90 Ala -Val | Second mutant Codon 94 Asp-Asn | Third mutant Codon 94 Asp-Ala | Fourth mutant Codon 95 Ser-Thr | Wild type |
|---|---|---|---|---|---|
Ciprofloxacin | -7.5 | -7.5 | -7.4 | -7.5 | -7.5 |
Gatifloxacin | -7.3 | -7.3 | -7.4 | -7.3 | -7.4 |
Lomefloxaciin | -7.6 | -7.6 | -7.6 | -7.6 | -7.5 |
Moxifloxacin | -7.9 | -7.9 | -7.9 | -7.9 | -7.9 |
Ofloxacin | -7.6 | -7.6 | -7.6 | -7.6 | -7.6 |
Sparfloxacin | -8.0 | -8.0 | -8.1 | -8.1 | -8.1 |
1 | -8.0 | -8.2 | -8.2 | -7.9 | -8.2 |
2 | -8.4 | -8.5 | -8.4 | -8.4 | -8.5 |
3 | -8.1 | -8.1 | -8.5 | -8.1 | -8.1 |
4 | -8.3 | -8.1 | -8.3 | -8.4 | -8.1 |
5 | -8.2 | -8.4 | -8.4 | -8.2 | -8.5 |
6 | -9.0 | -9.0 | -9.0 | -9.0 | -9.0 |
7 | -9.2 | -9.1 | -9.2 | -9.2 | -9.1 |
8 | -10.1 | -10.0 | -10.1 | -10.1 | -10.1 |
9 | -9.5 | -9.5 | -9.5 | -9.5 | -9.5 |
10 | -9.6 | -9.7 | -9.7 | -9.7 | -9.7 |
11 | -9.5 | -9.5 | -10.0 | -9.5 | -9.5 |
12 | -10.8 | -10.8 | -10.8 | -10.7 | -10.7 |
13 | -10.2 | -10.2 | -10.2 | -9.8 | -10.2 |
14 | -7.6 | -7.5 | -7.5 | -7.5 | -7.6 |
15 | -7.9 | -7.9 | -7.9 | -7.9 | -7.9 |
16 | -11.7 | -11.7 | -11.7 | -11.7 | -11.7 |
17 | -11.4 | -11.5 | -11.5 | -11.5 | -11.5 |
18 | -12.1 | -12.1 | -12.1 | -12.1 | -12.1 |
19 | -12.3 | -12.3 | -12.3 | -12.3 | -12.0 |
20 | -7.2 | -6.1 | -6.7 | -6.6 | -6.6 |
21 | -8.4 | -8.4 | -8.4 | -8.4 | -8.4 |
22 | -8.7 | -8.7 | -8.7 | -8.7 | -8.7 |
23 | -8.9 | -8.9 | -8.9 | -8.9 | -8.9 |
24 | -7.1 | -7.1 | -7.1 | -7.1 | -7.1 |
25 | -8.6 | -8.6 | -8.6 | -8.5 | -8.6 |
26 | -8.1 | -8.7 | -8.7 | -8.7 | -8.6 |
27 | -9.0 | -9.0 | -9.2 | -9.0 | -9.1 |
28 | -8.8 | -9.7 | -9.2 | -9.7 | -9.2 |
29 | -8.8 | -9.2 | -9.2 | -9.0 | -9.0 |
30 | -9.7 | -9.0 | -8.9 | -9.0 | -8.8 |
31 | -8.9 | -9.5 | -9.3 | -9.3 | -9.5 |
32 | -8.5 | -8.7 | -8.9 | -9.0 | -8.9 |
33 | -9.4 | -9.8 | -9.4 | -9.4 | -9.4 |
34 | -9.0 | -9.0 | -8.7 | -9.0 | -8.6 |
35 | -10.3 | -10.3 | -10.3 | -10.4 | -10.3 |
36 | -10.1 | -10.0 | -10.1 | -9.8 | -10.1 |
37 | -9.0 | -9.2 | -9.2 | -9.2 | -9.2 |
38 | -8.2 | -8.0 | -7.9 | -7.7 | -8.0 |
39 | -8.6 | -8.6 | -8.6 | -8.6 | -8.6 |