Phytochemical, in silico, and in vitro studies of wheatgrass (Triticum aestivum L.) juice powder.

ABSTRACT: Wheatgrass (Triticum aestivum L.) is a functional food rich in phenolic compounds with demonstrated antioxidant and potential anticancer properties. Its phenolic compounds, vitamins, minerals, and enzymes are the main contributors to its positive health effects. In this study, the phenolic profile of wheatgrass juice powder was determined by HPLC-DAD, its antioxidant capacity was measured by DPPH and total phenolic content assays, and its cytotoxic effect on the MCF-7 breast cancer cell line was assessed using the MTT protocol. For in silico studies, the 3D structures of identified compounds (catechin, caffeic acid, coumarin, esculetin, quercetin, ellagic acid, and apigenin) were optimized using the DFT/B3LYP/6-311 + + G(d, p) method. Their interactions with selected cancer-related targets

SUBMITTER: Demirag AD 

PROVIDER: S-EPMC12905174 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature