Multi-level mechanistic insights into phytone bioactivity: the healthy aging characteristics of C. elegans, molecular interactions and enzyme inhibition.

Phytone, an important terpene in fermented foods, has anti-aging potential. This study explored its interactions with α-amylase (αAmy), pepsin (PEP), trypsin (TPS), human serum albumin (HSA), and anti-aging effects via Caenorhabditis elegans (C. elegans). In nematodes, it prolongs lifespan, increases pharyngeal pump rate (14.98%), reduces heat stress mortality (10.10%), and preserves reproductive capacity. At the same time, it can significantly enhance the activity of SOD, CAT, and GSH-Px. Multispectral analysis and molecular simulation confirmed phytone forms stable complexes with these proteins mainly through combined quenching (hydrophobic interactions for PEP/αAmy, hydrogen bonds and van der Waals forces for HSA/TPS), with PEP-phytone showing high stability (RMSD = 2.03 Å). It showed a significant inhibitory effect on TPS (31.28%), and had a slight inhibitory effect on PEP and αAmy (about 8.6%), indicating that it has a regulatory role in the digestive process. The interaction with HSA seems to facilitate its utilization in the physiological environment. These data characterize the potential anti-aging ability of phytone and its mechanism of molecular interaction, providing a theoretical basis that can support the development of functional foods.