Optimisation of wheatgrass extraction using composite weighting-response surface methodology with phytochemical profiling and network pharmacology-based target prediction

Wheatgrass is not only rich in nutrients but also highly medicinal. In this study, ethanol - assisted ultrasonic extraction technology was used to prepare wheatgrass extracts. The composite weighting method and response surface design were innovatively applied to comprehensively evaluate the extraction process based on total phenolic content, total flavonoid content and DPPH•scavenging rate, and A549 cell growth inhibition rate. Results showed the optimal extraction condition was the ethanol volume fraction 39.56%, liquid-to-solid ratio 40.11 mL/g, and time 42.21 min, with a comprehensive scoring of 64.04%. The 20 bioactive compounds in the optimal extract that met the criteria were selected for further network pharmacological analysis. The analysis suggested that wheatgrass extract exerts its antioxidant and anti-non-small cell lung cancer (NSCLC) activities primarily through the phosphatidylinositol 3-kinase (PI3K)/AKT signalling and epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor resistance pathways.