In Silico Biology of H1N1: Molecular Modelling of Novel Receptors and Docking Studies of Inhibitors to Reveal New Insight in Flu Treatment

Table 1

Docking of Oseltamivir, Beta-Sialic acid, and O-Sialic acid from XP method.

Sl. no.	Ligands	GScore	Lipophilic	H-bond	Electrostatic	Low MW
1	Oseltamivir	–5.18	–1.10	–1.50	–2.67	–0.46
2	B-Sialic acid	–9.74	–0.92	–6.77	–2.00	–0.47
3	O-Sialic acid	–8.65	–0.93	–5.73	–2.00	–0.47

Lipophilic: ChemScore lipophilic pair term and fraction of a protein-ligand vdW energy.
Hbond: ChemScore H-bond pair term.
Electrostatic: electrostatic rewards.
Low MW: Rewards for ligand with low molecular weight.