From cross cancer transcriptomics to therapeutics: WGX-50 target hub genes in breast cancer and non-small cell lung carcinoma.

Breast cancer (BC) and non-small cell lung carcinoma (NSCLC) are two of the most prevalent and lethal malignancies, with shared molecular alterations that could serve as biomarkers for diagnosis and therapy. We employed integrated bioinformatics approaches to identify common hub genes in both cancers by analyzing eight GEO transcriptomic datasets. The protein-protein interaction network revealed ten hub genes: five upregulated (TOP2A, CCNB1, CCNB2, MELK, and UBE2C) and five downregulated (CDH5, MMRN2, RAMP2, CCM2L, and CD36), which were validated through transcriptomic analyses. These genes were associated with key process such as cell-cycle regulation, DNA replication, angiogenesis, and endothelial integrity. Among the hub genes analyzed, significant survival associations were observed for selected genes in a cancer-type-specific manner, particularly for several upregulated hub genes in LUAD, whereas most hub genes showed no statistically significant association with overall survival. Molecular docking results demonstrated favorable interactions between WGX-50 and these targets, with the top vina scores indicating a strong binding affinity. Subsequent molecular dynamics simulations of WGX-50 with CD36 and MELK confirmed stable interactions, involving hydrogen bonds, hydrophobic interactions, and water bridges. These findings highlight the therapeutic potential of WGX-50 as a multitarget anticancer agent capable of modulating multiple signaling cascades. This Insilico study provides valuable insights into the development of targeted therapies for BC, NSCLC, and presents WGX-50 as a promising anticancer candidate.