Poria in Fuling Zexie decoction for treating metabolic dysfunction-associated steatotic liver disease: Underlying mechanisms and key bioactive substances

Table 3 Docking information between key components and core targets

No.	Target	Component	Binding energy (kcal/mol)
1	HAO1	Dehydrotrametenonic acid	-19.8
2		16α-Hydroxydehydrotrametenolic acid	-18.9
3		Glycyrrhetinic acid	-18.9
4	TYMS	Dehydropachymic acid	-9.1
5	DHODH	Dehydrotrametenonic acid	-6.2
6	AKR1B1	Liquiritigenin	-5.6
7		Liquiritin	-6.9
8		Chlorogenic acid	-6.5
9	AKR1B10	Dehydrotrametenonic acid	-7.2
10		Glabrolide	-7.3
11		Poricoic acid A	-5.8
12		16α-hydroxydehydrotrametenolic acid	-6.8
13		Glycyrrhetinic acid	-6.7
14		Chlorogenic acid	-6.3
15	AKR1A1	Glabrol	-8.9
16	GUSB	4-shogaol	-6.9
17	PYGM	Glabrolide	-9
18	ALDH5A1	7-hydroxycoumarin	-6.4
19	PIK3CA	Alisol F	-7.1
20		Liquiritigenin	-5.8
21	PIK3CD	Alisol F	-9.2
22		Glabrol	-7.8
23		4-Shogaol	-7
24		(10)-Gingerol	-6.5
25		Gingerenone A	-7.1
26		Ligustilide	-6.9
27		Phenethyl benzoate	-7
28	PLCG1	Dehydropachymic acid	-7.2
29		1-Dehydro-[10]-gingerdione	-5
30	PIK3CG	Glabrol	-9.1
31		1-Dehydro-[10]-gingerdione	-6.7
32		4-Shogaol	-7.1
33		Gingerenone A	-7.8
34	PIK3CB	Alisol F	-9.5
35		Liquiritigenin	-7.5
36		4-Shogaol	-6
37		(10)-Gingerol	-5.3
38		Gingerenone A	-6.4
39	PI4KB	4-Shogaol	-6.3
40	ACP1	Poricoic acid A	-7.7
41		16α-hydroxydehydrotrametenolic acid	-7.6

HAO1: Hydroxyacid oxidase 1; TYMS: Thymidylate synthetase; DHODH: Dihydroorotate dehydrogenase (quinone); AKR1B1: Aldo-keto reductase family 1 member B1; AKR1B10: Aldo-keto reductase family 1 member B10; AKR1A1: Aldo-keto reductase family 1 member A1; GUSB: Glucuronidase beta; PYGM: Glycogen phosphorylase, muscle associated; ALDH5A1: Aldehyde dehydrogenase 5 family member A1; PIK3CA: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha; PIK3CD: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta; PLCG1: Phospholipase C gamma 1; PIK3CG: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma; PIK3CB: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta; PI4KB: Phosphatidylinositol 4-kinase beta; ACP1: Acid phosphatase 1.