Applied Biological Chemistry

Table 4 Interaction of rutin with crystal structure of H. pylori 4HI0

From: Inhibitory potential of rutin and rutin nano-crystals against Helicobacter pylori, colon cancer, hemolysis and Butyrylcholinesterase in vitro and in silico

Mol	Ligand	Receptor	Interaction	Distance	E (kcal/mol)
Rutin	O 13	O PRO 111 (B)	H-donor	2.62	− 2.6
	O 47	OE1 GLU 251 (B)	H-donor	2.67	− 2.0
	O 64	OE1 GLU 251 (B)	H-donor	2.70	− 2.9
	O 66	OE2 GLU 47 (B)	H-donor	3.04	− 2.6
	O 47	NH1 ARG 250 (B)	H-acceptor	2.74	− 2.7
	O 64	NH1 ARG 76 (B)	H-acceptor	3.16	− 1.5
	6-ring	CA GLN 80 (B)	Pi-H	3.96	− 0.7

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