Integrative Discovery Through Network Pharmacology and Molecular Docking Approaches of Phenolic Compounds Isolated from <i>Torreya nucifera</i> to Treat Rheumatoid Arthritis.

ABSTRACT: Torreya nucifera, a consumable botanical species native to the southern regions of Korea, has a history of ethnopharmacological application to treat inflammatory conditions. This study employed feature-based molecular networking and integrated with the GNPS database to separate and identify ten phenolic compounds from T. nucifera. We further investigated the therapeutic potential of these isolated compounds and their structural features in the context of rheumatoid arthritis. Protein-protein interaction networks, constructed using compound-target and disease-associated target data, identified NFKB1, RELA, and TNFRSF1A as key hub genes. Gene Ontology (GO) enrichment analysis revealed inflammatory response as the most significantly modulated biological process. Kyoto Encycloped

SUBMITTER: Le DD 

PROVIDER: S-EPMC12691866 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature