Figure 4
From: Potent sialic acid inhibitors that target influenza A virus hemagglutinin
Similar outcomes from the post-screening analysis and HA inhibition assay. (a) The hierarchical clustering and interaction profiles of the 12 derivatives and NSC85561. The hierarchical tree represents compound similarities. The 13 compounds are listed on the y-axis and the interactive residues are listed on the x-axis. The first code of the interactive residue stands for the force between compounds and residues, E for electrostatic force, H for hydrogen bond force, and V for van der Waals forces. The second code stands for the interaction in the main chain (M) or side chain (S). The third code represents the residue type and serial number of the H1N1 HA. Residues with a pharmacological preference value of ≥ 0.4 are colored according to the interaction type: E = red; H = green; V = grey. The H or E interactions are represented in green when the energy ≤ –2.5. The V interactions are in green when the energy is < –4. (b) Representation of agglutination of the 13 compounds in serial two-fold dilutions, starting with 25 µM using the HA inhibition assay and performed in three individual experiments.
