Unveiling Yiyi Fuzi Baijiang powder: Microecological and network pharmacology approach to ulcerative colitis treatment

Table 1 Details of drugs

Medicine	Serial number	Drug specifications
Coicis Semen	1908005W	2 g (equivalent to 15 g decoction pieces)
Aconiti Lateralis Radix Praeparata	1808001C	1 g (equivalent to 3 g decoction pieces)
Herba Patriniae	1904004C	1 g (equivalent to 15 g decoction pieces)

Table 2 Compound in Yiyi Fuzi Baijiang powder from different databases

Herbs	TCMSP	TCMID	ETCM	BATMAN-TCM
Coicis Semen	38	52	0	3
Aconiti Lateralis Radix Praeparata	65	101	38	58
Herba Patriniae	52	16	2	15
Union	155	169	40	76

TCMSP: Traditional Chinese medicine systems pharmacology; TCMID: Traditional Chinese medicines integrated database; ETCM: The encyclopedia of traditional Chinese medicine; BATMAN-TCM: Bioinformatics analysis tool for molecular mechanism of traditional Chinese medicine.

Table 3 Relative abundance of the absolute dominant strains, mean ± SD

OTU ID	Control	Model	YFB
p_Bacteroidota	0.5330 ± 0.0916	0.4995 ± 0.1713	0.5017 ± 0.1307
f_Muribaculaceae	0.4743 ± 0.0825	0.4163 ± 0.1403	0.4515 ± 0.1056
g_norank_f_Muribaculaceae	0.4585 ± 0.0771	0.4087 ± 0.1352	0.4452 ± 0.1033

OTU: Operational taxonomic unit; YFB: Yiyi Fuzi Baijiang powder.

Table 4 Affinity score of potential targets and compounds by molecular docking

Target	Compound	Affinity (kcal/mol)
NFKB1	Colchamine	-5.72
	FER	-4.03
	Morusin	-5.56
	Orotinin	-5.87
RELA	Colchamine	-6.37
	FER	-4.85
	Morusin	-5.04
	Orotinin	-5.2
IKBKB	Colchamine	-3.26
	FER	-2.65
	Morusin	-2.48
	Orotinin	-3.24
mTOR	Colchamine	-4.36
	FER	-4.46
	Morusin	-4.08
	Orotinin	-4.47
NFKBIA	Colchamine	-6.49
	FER	-4.32
	Morusin	-6.0
	Orotinin	-5.88
STAT3	Colchamine	-3.13
	FER	-2.45
	Morusin	-3.27
	Orotinin	-3.33

IKBKB: Inhibitor of nuclear factor kappa-B kinase subunit beta; mTOR: Mammalian target of rapamycin; NFKBIA: Nuclear factor kappa-B inhibitor alpha; STAT3: Signal transducer and activator of transcription 3; FER: Ferulic acid.