Unraveling the mechanism of malancao in treating ulcerative colitis: A multi-omics approach

Figure 1 Technical roadmap of malancao in treating ulcerative colitis. GEO: Gene Expression Omnibus; GO: Gene Ontology; KEGG: Kyoto Encyclopedia of Genes and Genomes; UC: Ulcerative colitis; UHPLC-QE-MS: Ultra-high-performance liquid chromatography coupled with exactive mass spectrometry; MLC: Malancao.

Figure 2 Morphological characteristics of malancao. Malancao is a variety of Kalimeris indica (L) Sch-Bip.

Figure 3 The distribution of ten main producing areas of malancao. Sample site: The sampling locations are dispersed across multiple districts and counties within Chongqing, China.

Figure 4 Total ion chromatogram plot of positive and negative ion modes of malancao detected by ultra-high-performance liquid chromatography coupled with exactive mass spectrometry. A: Positive ion mode mass spectrometry; B: Negative ion mode mass spectrometry.

Figure 5 Bioactive Compouds of malancao, n (%). CID: Pubchem's compound identifier, a non-zero integer for a unique chemical structure; 2D: Two-dimensional flat structures of compounds.

Figure 6 Venn diagram of active ingredient targets versus disease targets. Blue area: Targets of the malancao 's action; Yellow area: Protein targets of ulcerative colitis. MLC: Malancao; UC: Ulcerative colitis.

Figure 7 Drug-compound-target network of malancao against ulcerative colitis. Yellow nodes: Drug; Blue nodes: Compounds; Red nodes: Protein targets.

Figure 8  Protein-protein interaction network between drug-disease related targets and core targets.

Figure 9 Visualization of Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analysis. A: Visualization of Gene Ontology classification annotation analysis; B: Visualization of Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis. A node between two lines symbolizes interaction, with larger nodes indicating stronger relationships.

Figure 10  Disease differential analysis for ulcerative colitis in Gene Expression Omnibus database. A: Heatmap; B: Volcano plot; C-N: Show the differential expression of degree's top 20 core target genes in inflamed and non-inflamed colonic tissues, respectively.

Figure 11  Molecular docking of some core targets with active ingredients. A: Docking models for JUN-Luteolin; B: Docking models for JUN-Quercetin; C: Docking models for HSP90AA1-Wogonin; D: Docking models for HSP90AA1-Rhein.