Fig 1.
The associations between xylene and NSCLC.
(A) Venn diagram showing intersecting targets between ChEMBL and STITCH databases (B) Venn diagram showing intersecting targets between Genecards and OMIM databases (C) Venn diagram showing intersecting targets between xylene and NSCLC (D) Relationship Diagram between xylene and NSCLC related genes.
Fig 2.
The PPI network of the potential targets.
An interaction score ≥ 0.4 was applied to construct the PPI network, and isolated nodes were hidden.
Fig 3.
(A) GO functional enrichment analysis of potential targets (B) KEGG pathway enrichment analysis of potential targets. Terms with an adjusted p-value (p.adjust) < 0.05 were considered statistically significant.
Fig 4.
Results of scRNA-seq analysis.
(A) Cell annotation revealed 8 major cell types (B) The association between typical marker genes of different cell types in NSCLC and the 9 major cell types was visually represented through the bubble plo (C) The UMAP plot displayed the expression distribution of core targets of different cell types.
Fig 5.
Integrative validation of core gene expression patterns in lung cancer.
(A) Transcriptomic analysis of candidate genes in NSCLC tissues from the TCGA database, compared with adjacent normal tissues. The box plots show the expression levels. (B) Independent validation using the gene expression dataset GSE19188 from the GEO database. (C) Experimental validation by RT-qPCR in normal bronchial epithelial cells (Beas-2B) and lung cancer cell lines (A549, H1299, PC9). ns, p > 0.05, * p < 0.05, ** p < 0.01, *** p < 0.001.
Table 1.
Binding energy for target with xylene.
Fig 6.
Molecular docking results of m-xylene with core targets, displaying the lowest binding energies in both 3D and 2D formats.