Table. 3. Table 3

Binding affinity and inhibition constant (K_i) (at T=298.15 K) of bioactive compounds of gamma-irradiated and non-gamma-irradiated rice in the active site of α-amylase and α-glucosidase

Compound name	Binding affinity (kcal/mol)			Inhibition constant (Ki) (µM)
	α-Amylase (7TAA)	α-Glucosidase (3A4A)		α-Amylase (7TAA)	α-Glucosidase (3A4A)
Acarbose	—7.6	—8.2		3	1
2-(Formyloxy)-1-phenyl-ethanone	—5.7	—6.4		66	20
Ethyl α-D-glucopyranoside	—5.3	—6.3		129	24
Methyl-α-D-lyxofuranoside	—4.7	—5.5		356	92
Butyrolactone	—3.5	—4.2		2,702	828
2,5-Dimethylpyrazine	—4.1	—4.8		980	300
5-Methyl-2(5H)-furanone	—4.1	—4.8		980	300
3-Furanmethanol	—3.9	—4.4		1,374	590
(R)-(+)-1-Ethyl-2-pyrrolidinecarboxamide	—4.4	—5.2		590	153
Phenylethyl alcohol	—5.3	—5.6		129	78
Maltol	—4.7	—5.3		356	129
1-(1H-pyrrol-2-yl)-ethanone	—4.4	—4.9		590	254
1-Methyl-1H-pyrazole-4-carboxylic acid	—4.9	—5.2		254	153
2,5-Dimethyl-4-hydroxy-3(2H)-furanone	—5.0	—5.7		214	66
6-Amino-1,3,5-triazine-2,4(1H,3H)-dione	—6.3	—6.6		24	14
5-Heptyldihydro-2(3H)-furanone	—4.9	—5.9		254	47
Cyclopentanol	—3.6	—4.8		2,282	300
2,2,6,6-Tetramethyl-4-piperidinone oxime	—5.9	—5.9		47	47
5-Hydroxymethyldihydrofuran-2-one	—4.6	—5.2		421	153
1-Methyl-2,4-imidazolidinedione	—4.2	—5.0		828	214
Tetrahydro-3-furanol	—3.5	—4.0		2,702	1,161
1-(2-Hydroxy-5-methylphenyl)-ethanone	—6.2	—7.9		28	2
4-Hydroxy-2-methylacetophenone	—5.9	—6.4		47	20
1-Butyl-2-pyrrolidinone	—4.3	—5.0		699	214
3,5-Dihydroxy-2-methyl-4-pyrone	—5.1	—5.8		181	55
2,3-Dihydrobenzofuran	—5.4	—6.5		109	17
2-Pentylcyclopentanone	—4.9	—5.8		254	55
2-Octylcyclopentanone	—5.3	—5.8		129	55
(S)-5-Hydroxymethyl-2[5H]-furanone	—4.5	—5.4		499	109
4-(Methylthio)cyclohexanone	—4.3	—4.6		699	421
2,4-Dimethyl-2-oxazoline-4-methanol	—4.3	—5.2		699	153
2-Hydroxy-2-cyclopenten-1-one	—4.4	—5.0		590	214

Prev Nutr Food Sci 2024;29:354~364 https://doi.org/10.3746/pnf.2024.29.3.354