DOAJ Open Access 2025

Spatial metabolomics reveals seed coat-specific accumulation of bioactive polyphenols in Setaria italica: Mechanistic insights from molecular docking and antioxidant profiling

Yao-ru Li Lu-hong Yang Xuan Zhao Hua-feng Wang Wei Chen

Abstrak

Setaria italica seed coat represents an underutilized source of bioactive polyphenols. This study employed an integrated approach combining spatial metabolomics, computational screening, and in vitro assays to characterize its polyphenol composition and antioxidant properties. UPLC-MS/MS analysis revealed distinct metabolite profiles with numerous polyphenols significantly enriched in seed coats relative to kernels. Molecular docking identified Homoplantaginin as a high-affinity ligand for catalase, with molecular dynamics simulations confirming complex stability. In vitro antioxidant assays demonstrated concentration-dependent scavenging activity of Homoplantaginin against ABTS•+, O₂•−, and •OH radicals. These findings highlight the potential of Setaria italica seed coat as a sustainable source of natural antioxidants for functional food applications, providing scientific basis for the valorization of this agricultural byproduct.

Topik & Kata Kunci

Nutrition. Foods and food supply Food processing and manufacture

Penulis (5)

Yao-ru Li

Lu-hong Yang

Xuan Zhao

Hua-feng Wang

Wei Chen

Format Sitasi

APA MLA BibTeX

Li, Y., Yang, L., Zhao, X., Wang, H., Chen, W. (2025). Spatial metabolomics reveals seed coat-specific accumulation of bioactive polyphenols in Setaria italica: Mechanistic insights from molecular docking and antioxidant profiling. https://doi.org/10.1016/j.fochx.2025.103375

Akses Cepat

PDF tidak tersedia langsung

Cek di sumber asli →

Lihat di Sumber doi.org/10.1016/j.fochx.2025.103375

Informasi Jurnal

Tahun Terbit: 2025
Sumber Database: DOAJ
DOI: 10.1016/j.fochx.2025.103375
Akses: Open Access ✓