Table 5. Binding Scores, Amino Acid Interactions, and Bond Lengths of the Selected Compounds within the Active Site of E. coli DNA Gyrase B.

		Interacting residues
			Hydrophobic interaction
Compound	Binding score (S value) kcal/mol	H-bonding	π-cation, π-anion, π-alkyl interactions	van der Waals interactions
9n	–11.42	Asn46	Arg76, Pro79, Ile94, Ile78, Ala47, Val71, Asp73	Gly77, Glu50, Gln72, Met166, Val43, Thr165, Val120, Val167
9o	–11.28	Asn46	Arg76, Pro79, Ile94, Ile78, Ala47, Val71, Asp73	Arg136, Gly77, Glu50, Gln72, Met166, Val43, Thr165, Val120, Val167,
Ligand inhibitor	–11.76	GLY77, Asn46, ASP73	Glu50, Arg136, Ala47, Pro79, Ile94, Ile78	Met166, Gln72, Val71, Val167, Val43, Thr165, Arg76