Table 5.

Molecular docking data.

	Ligand	Receptor	Interaction	Distance	E (kcal/mol)	S (kcal/mol)
L	O 20	GLY 306	H-acceptor	3.33	−1.30	−6.79
	6-ring	ALA 109	pi-H	3.57	−0.70
	6-ring	ALA 111	pi-H	3.87	−0.90
MnL	O 66	LEU 191	H-donor	3.35	−3.10	−8.36
	O 66	ASN 193	H-donor	2.99	−2.90
	O 20	GLY 307	H-acceptor	3.12	−1.20
	O 53	ALA 83	H-acceptor	3.12	−1.10
FeL	CL 66	LEU 189	H-donor	3.68	−0.80	−7.75
	O 67	GLY 306	H-donor	3.01	−3.60
	O 53	ASN 193	H-acceptor	3.03	−1.00
CoL	O 69	LEU 191	H-donor	3.09	−10.10	−8.15
	O 69	ASN 193	H-donor	3.03	−1.80
	O 20	ALA 83	H-acceptor	3.19	−1.10
NiL	O 69	LEU 191	H-donor	3.23	−4.30	−8.37
	O 69	ASN 193	H-donor	2.91	−2.70
	O 20	ALA 83	H-acceptor	3.15	−1.10
CuL	O 66	LEU 191	H-donor	3.20	−4.20	−8.36
	O 66	ASN 193	H-donor	2.92	−2.50
	O 52	ALA 83	H-acceptor	3.15	−1.00