In Silico Profiling of Hydroethanolic Extract of Cassia tora Linn and Molecular Docking Evaluation of Butin, Bilobetin, Oroxylin A, and Sphoroflavanone G Against Melanoma

Abstract Objectives In Ayurveda, Cassia tora Linn (Chakramarda) seeds are traditionally used for managing skin disorders due to their antifungal, antibacterial, anti-inflammatory, antioxidant, and antipruritic properties. They are commonly indicated in psoriasis, fungal infections, and related dermatological conditions. Although their role in melanoma remains underexplored, classical texts emphasize their broad skin-protective potential. Based on this rationale, the present study evaluated the anticancer potential of Cassia tora Linn seeds bioactives against melanoma using In silico and molecular docking approaches. Methods Bioactive analysis of the hydroethanolic extract of Cassia tora Linn seeds was done using LC-MS analysis. These compounds were subsequently subjected to comprehensive in silico evaluation, including molecular docking studies. The analysis involved drug-likeness prediction, identification of shared targets between melanoma and the seed bioactives, protein–protein interaction (PPI) network construction, hub gene identification, functional enrichment through Gene Ontology (GO), pathway mapping via the Kyoto Encyclopedia of Genes and Genomes (KEGG), and molecular docking experiments. Results A total of 858 overlapping genes were identified, with ten hub targets—AKT1, IL6, EGFR, TNF, STAT3, GAPDH, IL1B, ALB, TP53, and SRC—emerging as central nodes in critical oncogenic pathways such as RAS/MAPK, PI3K-Akt, Wnt, JAK-STAT, VEGF, TNF signaling, melanogenesis, apoptosis, and cellular senescence. These results indicate that Cassia tora Linn seed bioactives may modulate multiple cancer-related pathways in melanoma. Conclusions The findings highlight Cassia tora Linn seeds as a promising source of chemotherapeutic agents, providing a basis for future melanoma treatment research. Graphical abstract