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

Table 4

Molecular docking value of synthesized compounds against Human Topoisomerase IIβ (PDB ID: 4fm9).

Compounds	Affinity (kcal/mol)	H-bond	Residual amino acid interactions
			Hydrophobic/Pi-cation/Pi-anion/Pi-alkyl interactions	Van der Waals interactions
5	−7.1	--	Pro-593, Leu-705, Gln-542	Asp-541, Glu-702, Lys-550, Ser-547, Asp-543, Gln-544, Asp-683, Tyr-684
6	−7.1	Leu-685, Gln-542	Leu-705, Pro-593, Lys-701, Tyr-686	Asp-683, Tyr-684, Glu-702, Ser-547, Tyr-590
7	−6.9	Ser-547, Leu-685, Gln-542	Pro-593, Leu-705, Lys-701	Asp-683, Tyr-684, Leu-592, Ser-591, Tyr-590, Ile-577
8	−7.3	Ser-591, Leu-685, Glu-702, Tyr-590, Leu-592, Gln-542	Pro-593, Leu-705, Lys-701	Asp-683, Asp-543, Ile-577
12	−7.0	Leu-685	Ile-577, Tyr-686, Leu-705	Ser-547, Lys-550, Gln-542, Tyr-590, Ser-591, Tyr-684, Lys-701, Glu-702
Vosaroxin	−7.2	Ser-591, Leu-685, Leu-592	Leu-705, Ile-577, Pro-593	Glu-682, Tyr-684, Arg-672, Gln-542