. 2023 Jul 14;8(29):25877–25891. doi: 10.1021/acsomega.3c01413

Table 5. Molecular Docking Data.

	ligand	receptor	interaction	distance	E (kcal/mol)	S (kcal/mol)	Ki (μM)
Az	O 19	THR 81	H-donor	2.85	–1.40	–6.55	16.17
CrAz₂	C 5	LEU 191	H-donor	3.21	–0.80	–7.26	4.85
CrAz₂	O 65	LEU 191	H-donor	2.65	–5.10	–7.26	4.85
MnAz₂	O 20	GLY 06	H-donor	2.90	–0.90	–7.98	1.43
	O 65	ASN 193	H-donor	2.66	–12.60
	6-ring	PRO 192	pi–H	3.62	–0.70
FeAz₂	O 52	THR 81	H-donor	2.90	–2.50	–7.88	1.69
FeAz₂	6-ring	ALA 09	pi-H	3.81	–0.60	–7.88	1.69