Diabetes remains a critical global public health challenge, posing a growing threat to human health and well-being. White tea is a lightly fermented tea and one of the six traditional tea categories in China. Owing to its rich content of bioactive compounds such as catechins and alkaloids, it has demonstrated potential anti-diabetic properties. However, its precise bioactive components, mechanisms of action, and relevant molecular targets require further investigation. In this study, an integrated approach combining polyphenol-targeted metabolomics, in vitro antioxidant assays, α-glucosidase inhibition tests, network pharmacology analysis, GEO database exploration, molecular docking, and molecular dynamics simulations was employed to identify the potential anti-diabetic compounds, targets, and mechanisms of white tea. The findings revealed that white tea is particularly abundant in 10 bioactive compounds, including epigallocatechin gallate, epicatechin gallate, and catechin, all of which exhibit significant anti-diabetic potential. These compounds were found to exert their effects by interacting with core molecular targets, namely cathepsin V (CTSV) and nucleotide-binding oligomerization domain-containing protein 1 (NOD1), and engaging in pathways related to signal transduction, apoptosis, and immune responses. This study establishes a strong theoretical basis for advancing white tea research and underscores new opportunities for applying natural products in diabetes therapy.

Wuyi rock tea (WRT) processed from dew-soaked leaves is often characterized by a pronounced grassy off-odor defect. However, the key odor-active compounds and their potential underlying mechanisms remain unclear. In this study, quantitative descriptive sensory analysis, GC–MS, GC–O, molecular docking, and aroma addition tests were used to systematically elucidate the chemical basis and potential perceptual mechanisms of the key grassy off-odor in WRT processed from dew-soaked leaves. The results showed that 16 volatile compounds were significantly associated with dew, among which (E,E)-2,4-heptadienal, octanal, hexanal, and heptanal were identified as the major odor-active compounds responsible for the grassy off-odor. The accumulation of these aldehydes may be associated with lipid peroxidation under the influence of dew. Aroma addition and omission tests confirmed that (E,E)-2,4-heptadienal contributed significantly to grassy off-odor formation and that additive effects existed among the four compounds. Molecular docking predicted that the four key odor-active compounds interacted with human olfactory receptors, including OR1A1 and OR10J5, through hydrogen bonds and hydrophobic interactions, thereby affecting grassy off-odor perception, with predicted binding energies below −4.7 kcal/mol. This study elucidated the effects of dew on the formation of the characteristic aroma of WRT and provides a scientific basis for tea quality regulation and processing improvement.