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Table 3 Predicted binding affinity of three NA inhibitors with the novel H7N9, H5N1, and H1N1 neuraminidases

From: Structural analysis of the novel influenza A (H7N9) viral Neuraminidase interactions with current approved neuraminidase inhibitors Oseltamivir, Zanamivir, and Peramivir in the presence of mutation R289K

NA inhibitor

Binding affinity (kcal/mol)

Novel H7N9

H5N1 [PDB id]

H1N1 [PDB id]

[2HTU]

[2HU0]

[2HU4]

[3TI6]

[3B7E]

[3TI5]

oseltamivir

-7.49

-8.65

-8.30

-8.33 (2.26)*

-8.18 (1.82)*

-8.28

-8.16

peramivir

-7.20

-8.53 (1.6)*

-7.35

-7.94

-7.78

-7.81

-7.96

zanamivir

-6.33

-7.08

-6.94

-6.71

-6.92

-7.27 (0.69)*

-7.32 (0.92)*

  1. * Root Mean Square deviation (RMSD) of the docked complex to the native complex structures