Table 6.

Molecular docking parameters and results of seven active ingredients in LC binding with PYGM

Molecule name	Vina scores	Cavity size	Center			Size
			x	y	z	x	y	z
OIN	− 7.8	1837	5	23	29	21	21	27
Kukoamine A	− 12.3	1598	31	24	30	36	36	36
Linarin	− 11.3	1598	31	24	30	24	24	24
Aurantiamide acetate	− 10.1	1598	31	24	30	29	23	23
Acacetin	− 10	1598	31	24	30	29	21	21
Apigenin	− 9.8	1598	31	24	30	29	21	21
Kulactone	− 8.9	1484	26	3	51	24	24	24
Emodin	− 8.9	1598	31	24	30	29	19	19
Scopolin	− 8.6	1598	31	24	30	29	21	21
Physcion	− 8.6	1598	31	24	30	29	20	20
Stigmasterol	− 8.5	1484	26	3	51	25	25	25
Lyciumin A	− 8.4	1484	26	3	51	28	28	28
Hederagenin	− 8.2	1484	26	3	51	25	25	25
Alexandrin	− 7.9	1837	5	23	29	29	29	29
Atropine	− 7.8	1837	5	23	29	21	21	27
Sugiol	− 7.7	1484	26	3	51	26	29	20
Beta-sitosterol	− 7.7	1484	26	3	51	23	29	23
Campesterol	− 7.7	1484	26	3	51	24	24	24
Linoleyl acetate	− 7	1598	31	24	30	29	29	29
HEPTACOSANE	− 7	1598	31	24	30	31	31	31
CLR	− 6.7	1598	31	24	30	36	36	36
Tricosane	− 6.4	1598	31	24	30	28	28	28