Decoding the Chemical Complexity and Action Mechanisms of Pinus koraiensis Needles: A Widely Targeted Metabolomic and Network Pharmacologic Investigation into Antioxidant-Related Disease Intervention

Pinus koraiensis needles (PKNs) are a valuable natural source of high-quality antioxidants, and their health benefits are strongly linked to secondary metabolites. This study thoroughly evaluated the antioxidant activity and metabolite profile of PKNs from three provenances—Lushuihe (LSH), Dongfanghong (DFH), and Dailing (DL)—through chemical antioxidant assays and widely targeted metabolomics. A total of 2948 secondary metabolites were obtained, predominantly flavonoids, terpenoids, alkaloids, and phenolic acids. In vitro antioxidant assays (DPPH, ABTS, FRAP, and hydroxyl radical scavenging) showed that PKNs from LSH exhibited the highest antioxidant capacity, with an overall trend of LSH > DL > DFH. Correlation analysis further indicated that polyphenols play a significant role in the antioxidant properties of PKNs. Network pharmacology analysis suggested that the antioxidant effects of PKNs may involve 207 components, 191 signaling pathways, and 183 related targets. The potential active ingredients could participate in a variety of metabolic pathways in vivo, including PI3K/AKT, MAPK, and cancer pathways. Additionally, molecular docking showed that the key active ingredients bind to the core targets through hydrophobic interactions and hydrogen bonds. Finally, a network pharmacology approach was used to predict potential active ingredients of PKNs for treating cancer, cardiovascular diseases, and liver disorders. This study enhances the understanding of the bioactive compounds and health benefits of PKNs, providing a theoretical foundation for their further development and application.