Network Pharmacology Revealed the Mechanisms of Action of Lithospermum erythrorhizon Sieb on Atopic Dermatitis

Figures & data

Figure 1 Overlapping of different gene sets. (A) Overlapping of disease-related genes in DisGeNET (Disease genes), DEGs in GEO dataset (Diff genes), AD drug target genes in DrugBank database (DrugBank targets). (B) Overlapping of disease-related genes in DisGeNET- DRUG target genes in DrugBank database, and LES target genes (LES targets).

Figure 2 Compound-compound target-AD target human protein PPI network. Green circles indicate compounds with effects on intersection targets between compound targets and AD targets. Red circles indicate the intersection targets between compound targets and AD targets. Blue circles indicate targets related to AD.

Table 1 Genes Significantly Inhibited by LES

Drug Class or Compound	Targets^a	AD Disease Genes^b	AD Drugs Targets^c	GEO Upregulated Genes
Anti-histamine	22	2	11	0
Anti-inflammatory	7	1	2	0
Immunity	5	1	1	0
Caffeic acid	28	11	1	4
Arnebinol	19	4	1	2
Palmitic acid	26	4	0	1
Acetylshikonin	28	3	0	8
Deoxyshikonin	16	3	0	6
Isobutyryl shikonin	18	2	0	5
Isovaleric acid	15	2	0	4
Lithospermidin A/B	13	2	0	4
α-methyl-n-butylshikonin	15	2	0	4
Lobelanidine	21	2	2	3
Senecic acid	6	2	0	2

Notes: ^aTargets identified by SRWR of KEGG. ^bAD disease genes extracted from GEO datasets. ^cAD drugs targets extracted from DrugBank.

Table 2 Pathways Associated with Major Targets of LES

Pathways		Gene	Compounds
Metabolism	Tyrosine metabolism	MAOB, GOT1, ADH1C, MAOA, ADH1B, ADH1A	Isovanilli, Isovaleric acid, caffeic acid
	Tryptophan metabolism	MAOB, MAOA, CYP1A1	Isovanilli, caffeic acid
	Sphingolipid signaling pathways	OPRD1, PRKCB, BCL2, RAC1, MAPK14, CTSD	Lobelanidine, caffeic acid, Palmitic acid, Alkannan,
	Arginine and proline pathway	GATM, MAOB, GOT1, MAOA	Isovanilli, Isovaleric acid
PI3K-Art signaling pathway		COL1A1, GSK3B, BCL2, HSP90AA1, RXRA, RAC1, CHRM1, CDK2, KDR	Palmitic acid, Alkannan, α-methyl-n-butylshikonin, Arnebinol, caffeic acid
VEGF signaling pathway		PRKCB, KDR, RAC1, MAPK14, PTGS2	Caffeic acid, Arnebinone, α-methyl-n-butylshikonin, Alkannan
Fc epsilon RI signaling pathway		PRKCB, BTK, RAC1, MAPK14	Caffeic acid, Alkannan
Calcium signaling pathway		CHRM3, CHRM1, PRKCB, ADRA1D, ADRB1, ADRB2, ADRA1B	Arnebinol, Caffeic acid, Alkannan, Lobelanidine,

Figure 3 KEGG analysis of major targets of LES. X-axis showed the Rich factor (FDR<0.01), and Y-axis showed significantly enriched KEGG pathway of the targets.