Network pharmacology and experimental verification-based strategy for exploring the mechanisms of luteolin in the treatment of osteosarcoma

Table 2 Crucial bond interaction parameters for luteolin with target amino acid residues

Protein	protein residues	bond	Distances (Å)
AKT1	THR-211	H-bond	2.78
		H-bond	1.95
		H-bond	2.00
	VAL-271	H-bond	2.19
	LEU-210	Pi-Alkyl	4.53
	VAL-270	Pi-Alkyl	5.46
ALB	TYR-150	H-bond	2.37
	LYS-199	H-bond	1.80
	ALA-291	Pi-Alkyl	3.82
	ALA-291	Pi-Alkyl	4.31
	LEU-238	Pi-Alkyl	5.47
		Pi-Alkyl	5.42
		Pi-Alkyl	4.63
	ARG-218	Pi-Alkyl	4.73
	ILE-290	Pi-Alkyl	5.42
JUN	LEU-206	Pi-Alkyl	4.56
	VAL-78	Pi-Alkyl	4.83
	VAL-78	Pi-Alkyl	5.44
	VAL-196	Pi-Alkyl	4.90
	ILE-70	Pi-Alkyl	4.89
	ILE-70	Pi-Alkyl	5.31
	ALA-91	Pi-Alkyl	4.64
	ALA-91	Pi-Alkyl	4.59
	GLU-147	H-bond	2.48
	MET-149	H-bond	1.90
	ASP150	H-bond	1.99
CASP3	SER-251	H-bond	2.34
	SER-251	H-bond	2.42
	SER-205	H-bond	2.07
	SER-209	H-bond	2.53
IL6	GLU-172	Pi-Anion	3.91
	GLU-172	Pi-Anion	4.65
	LYS-66	H-bond	1.83
	GLN-175	H-bond	2.12
	SER-176	H-bond	2.84
	MET-67	H-bond	2.15
	MET-67	H-bond	2. 83
STAT3	ARG-335	Pi-Alkyl	5.08
	ARG-335	Pi-Alkyl	4.98
	HIS-332	H-bond	2.09
	ASP-556	H-bond	2.12
	THR-515	H-bond	2.19
TNF	TYR-119	H-bond	2.03
	GLY-122	H-bond	2.63
	GLY-122	H-bond	2.67
	TYR-151	H-bond	1.99
	SER-60	H-bond	2.43
	GLY-121	Amide-Pi	3.99
VEGFA	ILE-46	Pi-Alkyl	5.01
	LYS-48	H-bond	2.10
	ASP-63	H-bond	2.19
	ASP-63	Pi-Anion	4.57
	THR-226	Pi-Anion	3.38
	THR-226	Pi-Anion	3.44
	ARG-224	H-bond	2.06
	HIS-223	H-bond	1.89

ISSN: 1475-2867