Table 6.

Molecular docking value of compounds isolated from root extracts of O. cufodontii.

Compounds	Affinity (kcal/mol)	H-bond	Residual interactions
			Hydrophobic/Pi-Cation	Van dar Waals
1	− 6.3	Arg-76	Ile-78	Asp-73, Glu-50, Ile-94, Asp-49, Ieu-98, Val-120
2	− 6.1	–	Ile-78, Ile-94, Glu-50	Asp-73, Arg-76, Asn-46, Gly-77, Thr-165, Asp-49,
3	− 6.9	Asn-46, Arg-76	Ile-78, Glu-50	Asp-43, Ala-47, Gly-77, Pro-79, Val-43, Arg-136, Val-167, Thr-165
4	− 6.6	Asn-46	Glu-50, Ile-78	Asp-73, Asp-49, Ala-47, Gly-77, Pro-79, Ile-94, Arg-76, Val-43, Thr-165, Val-167
5	− 6.6	Asp-73	Arg-76	Asn-46, Ala-47, Glu-50, gly-77, Ile-78, Pro-79, Thr-165
Ciprofloxacin	− 6.9	Asp-73, Asn-46, Arg-76	Ile-78, Ile-94, Glu-50, Gly-77	Ala-47, Pro-79, Thr-165