Research Article
In Silico Biology of H1N1: Molecular Modelling of Novel Receptors and Docking Studies of Inhibitors to Reveal New Insight in Flu Treatment
Table 3
Hydrogen-bond interaction parameters for each compound with NA and HA receptors.
| | Sl. no. | Residue involved | Ligand atom involved | H-bond distance (Å) |
| | Oseltamivir on NA receptor | | | |
| | 1 | ARG109 | O | 1.832 | | 2 | ARG143 | O | 2.280 | | 3 | ARG143 | O | 2.407 | | 4 | GLU219 | N | 1.760 |
| | B-Sialic on HA receptor | | | |
| | 1 | ALA142 | O | 2.137 | | 2 | ASP230 | O | 2.047 | | 3 | GLN231 | O | 2.032 | | 4 | GLN231 | O | 1.965 | | 5 | GLN231 | O | 1.910 | | 6 | GLU232 | O | 2.182 | | 7 | THR141 | O | 2.224 | | 8 | THR141 | O | 1.796 |
| | O-Sialic on HA receptor | | | |
| | 1 | ALA142 | O | 2.136 | | 2 | ASP230 | O | 1.966 | | 3 | ASP230 | O | 1.928 | | 4 | GLN231 | O | 2.073 | | 5 | GLN231 | O | 1.995 | | 6 | GLU232 | O | 2.217 | | 7 | THR141 | O | 2.215 | | 8 | THR141 | O | 1.830 |
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