Molecular mechanism of resveratrol in suppressing lung adenocarcinoma based on network pharmacology and molecular docking.

Resveratrol is a natural polyphenol known for its antioxidant and anti-inflammatory effects, but its role in lung adenocarcinoma (LUAD) remains unclear. Our study integrated network pharmacology, molecular docking, and bioinformatics to investigate the molecular mechanisms by which resveratrol suppresses LUAD through the identification of key targets and pathways. We identified 100 resveratrol-related targets and 50,000 LUAD-related genes from databases, finding 98 overlapping targets. Using STRING and Cytoscape software (Cytoscape Consortium, San Diego) to analyze protein-protein interaction networks for the identification of key targets. The gene ontology analysis of the targets revealed their involvement in metabolic and regulatory processes, as well as their association with membrane-related areas and nuclear envelopes, indicating roles in enzyme activity and molecular binding. Kyoto Encyclopedia of Genes and Genomes analysis highlighted pathways such as nitrogen metabolism, ovarian steroidogenesis, and PI3K-Akt signaling. Molecular docking demonstrated that resveratrol had strong binding with key targets (SRC: -6.0 kcal/mol; PIK3CA: -8.2 kcal/mol; and CYP3A4: -8.1 kcal/mol), indicating that it might inhibit LUAD by influencing kinase and metabolic enzyme activity. Resveratrol may suppress LUAD by targeting the PI3K-Akt/mTOR pathway, metabolic reprogramming, and genes related to the tumor microenvironment, thus offering a foundation for the development of natural compound-based LUAD therapies.