Synthesis and Evaluation of the Antibacterial and Antioxidant Activities of Some Novel Chloroquinoline Analogs

Table 3

Molecular docking value of synthetic compounds against E. coli DNA gyrase B.

Compounds	Affinity (kcal/mol)	H-bond	Residual amino acid interactions
			Hydrophobic/Pi-cation/Pi-anion/Pi-alkyl interactions	Van der Waals interactions
5	−6.1	Gly-77	Asp-73, Glu-50, Ile-78, Ile-94	Ala-47, Arg-76, Gly-75, Pro-79, Asn-46, Thr-165
6	−6.4	Asp-73, Asn-46, Gly-77	Glu-50, Pro-79, Ile-78, Arg-76	Ala-47, Gly-75, Thr-165
7	−6.3	Asp-73, Arg-76, Gly-77	Ala-47, Ile-78, Asn-46, Ile-94	Glu-50, Gly-75
8	−6.6	Asp-73, Gly-77, Thr-165	Ala-47, Ile-78, Asn-46, Ile-94	Glu-50, Val-43, Pro-79
12	−6.2	Gly-77	Asp-73, Ile-78, Ile-94	Ala-47, Glu-50, Asn-46, Gly-75, Pro-79
Ciprofloxacin	−7.2	Asp-73, Arg-76, Thr-165	Glu-50, Gly-77, Ile-78, Asn-46	Ala-47