Table 3.

Ligand docking results against CviR receptors and AcGa-1 receptors.

Compounds	Receptor of CviR				Receptor of AcGal-1
	Docking value (kkal/mol)	H-Bond	Distance bond (Å)	Score	Docking value (kkal/mol)	H-Bond	Distance bond (Å)	Score
Flavan-3-ol	−13.9877	Tyr 88 Tyr 88 Ser 155 Ser 155	2.10 H-Don 2.10 H-Acc 2.62 H-Don 2.62 H-Acc	98.7% 98.7% 94.0% 94.0%	−11.9881	His 2052	3.07 H-Don 3.07 H-Acc	19.6% 19.6%
Naringenin	−8.8640	Asn 77 Tyr 80	2.75 H-Acc 2.71 H-Acc	62.6% 94.2%	−10.3499	Asn 2044 Hip 2046	2.91 H-Don 2.79 H-Acc	31.7% 71.0%
Catechin	−13.1952	Tyr 80 Tyr 80 Tyr 88	2.08 H-Don 2.08 H-Acc 2.94 H-Acc	45.9% 45.9% 41.6%	−12.6204	Arg 2048 Asn 2061	2.50 H-Acc 2.97 H-Acc	17.6% 11.7%
Quercetin	−13.3896	Met 135 Ser 155 Ser 155 Ser 155	3.58 H-Don 2.75 H-Don 2.75 H-Acc 2.46 H-Acc	21.7% 58.9% 58.9% 88.9%	−12.3845	Asn 2046	2.77 H-Acc	37.3%
Hesperetin	−12.7451	Tyr 80 Tyr 80 Tyr 88 Ser 155	2.07 H-Don 2.07 H-Acc 2.36 H-Acc 2.45 H-Acc	57.0% 57.0% 100.0% 27.1%	−12.2630	Ser 2029 Hip 2044 Asn 2046	2.33 H-Acc 3.15 H-Acc 2.19 H-Acc	98.3% 10.3% 33.7%
Chrysin	−12.5559	Ser 155	2.62 H-Acc	41.4%	−10.0674	No	No	No
Rutin					−13.8851	His 2052 Gly 2069 Gly 2069 Arg 2048 Asn 2061	2.43 H-Don 3.83 H-Don 3.21 H-Don 2.78 H-Acc 2.68 H-Acc	72.3% 15.1% 52.1% 28.3% 14.2%
Albendazole	−11.4576	Tyr 80 Tyr 80 Tyr 80 Tyr 88 Tyr 88	2.97 H-Don 2.97 H-Acc 2.59 H-Acc 2.22 H-Don 2.22 H-Acc	34.7% 34.7% 25.3% 92.3% 92.3%	−9.3919	Asn 2046 Hip 2044	2.67 H-Don 2.79 H-Acc	15.1% 15.9%
Chlorolactone (native ligan of CviR)	−12.0372	Asp 97 Tyr 80 Trp 84	1.59 H-Don 2.45 H-Acc 3.22 H-Acc	72.9% 34.7% 12.4%
Lactose (native ligand of AcGal-1)					−12.2641	Asn 2046 Gly 2069 Gly 2069 Hip 2044 Arg 2048 Arg 2048 Asn 2061 Asn 2061	1.90 H-Don 3.52 H-Don 2.95 H-Don 2.78 H-Acc 2.65 H-Acc 2.25 H-Acc 3.35 H-Acc 1.68 H-Acc	91.8% 38.9% 36.6% 77.3% 29.1% 44.0% 14.4% 38.3%