Table 2.

The details of the H-bond formation and binding free energy.

Sl No	Macromolecule/Protein Target	Ligand/Small Molecule	Number of Hydrogen Bonds	H-Bond Forming Amino Acid Residues	∆G (Kcal/mol)
1	2H6T	Drug	4	SER-13, ASP-86, ASP-120 and GLN-121	−7.5
		BQ-01	3	THR-221 and THR-222	−6.5
		BQ-03	6	THR-221, THR-222 and GLY-220	−7.4
		BQ-05	5	THR-221, THR-222 and GLY-220	−7.2
		BQ-07	6	THR-221, THR-222 and VAL-12	−6.8
2	3N9K	Drug	3	ASP-145, LEU-304 and ASN-305	−7.8
		BQ-01	2	PHE-144 and ASN-146	−9.4
		BQ-03	2	ASN-146	−9.7
		BQ-05	3	ASN-146 and TYR-317	−9.4
		BQ-07	2	ASN-146	−9.2
3	5TZ1	Drug	4	TYR-132, PHE-463 and ARG-469	−7.2
		BQ-01	2	TYR-132	−8.9
		BQ-03	2	TYR-132	−8.1
		BQ-05	1	TYR-132	−8.6
		BQ-07	2	TYR-132	−8.7