Integrated Computational and Experimental Evaluation of Rutin as a Potential Therapeutic Agent for Oral Cancer

Abstract

Oral cancer remains a significant global health burden, requiring the development of effective and safer therapeutic options. Rutin, a naturally occurring flavonoid with antioxidant and anti-inflammatory properties, has gained attention for its potential anticancer activity. This study aimed to evaluate the therapeutic potential of rutin against oral cancer through a combined computational and experimental approach. Molecular docking was performed to assess rutin’s binding interactions with key molecular targets involved in oral cancer progression, particularly within the PI3K/AKT, MAPK, and NF-κB signaling pathways. Network and functional enrichment analyses were used to identify regulatory molecules and biological processes associated with rutin. Pharmacokinetic profiling was conducted to evaluate bioavailability and efficacy. In vitro assays were carried out to determine rutin’s effects on oral cancer cell viability, apoptosis induction, and caspase activation. Docking studies revealed strong interactions of rutin with critical proteins regulating cancer-related pathways. Network analysis highlighted EGFR, STAT3, and AP-1 as key nodes linked to apoptosis, cell cycle regulation, DNA repair, inflammation, and epithelial-mesenchymal transition. Pharmacokinetic predictions supported favorable absorption and bioavailability. In vitro findings demonstrated that rutin reduced oral cancer cell viability in a dose-dependent manner, enhanced apoptotic activity, and triggered caspase activation. Rutin exerts anticancer effects against oral cancer by modulating multiple signaling pathways and key regulatory molecules. These results provide mechanistic insights into its therapeutic potential and support further preclinical and clinical evaluation of rutin as a candidate for oral cancer treatment.