Metabolomics analysis of Cucumis melo var. flexuosus organs in correlation to its anti-inflammatory activity aided by chemometrics

Snake melon (Cucumis melo var. flexuosus, CM) is a gourd with health-promoting nutritional traits and unexplored phytochemicals. This study aims to comprehensively investigate the phytoconstituents in the fruits, leaves, roots, seeds, and stems of CM, using liquid chromatography-quadrupole time-of-flight tandem mass spectrometry. Consequently, 118 metabolites were identified, encompassing phenolic compounds, flavonoids, megastigmanes, lignans, cucurbitacins, and fatty acids. Multivariate data analysis revealed differences in the metabolite composition of CM organs and correlated these variations with the potential in-vitro anti-inflammatory properties assessed against RAW 264.7 macrophages through the down-regulation of cyclo-oxygenase-Ⅱ, nuclear factor-kappa B, and tumor necrosis factor-α. The results indicated that leaf and seed extracts showed the highest anti-inflammatory activity due to their enrichment in several flavonoids, phenolic glycosides, and a megastigmane. These findings emphasize the health benefits of CM organs as potential functional foods and functional food by-products, serving as a natural source for developing new anti-inflammatory agents. [Display omitted] •Metabolic profiles of five organs of snake melon were assessed by LC-QTOF-MS/MS.•118 metabolites were annotated in positive and negative ESI modes.•Leaves and seeds exhibited the highest bioactivity compared to the fruits, roots, and stems.•Cucurbitacins were abundant mainly in the leaves and roots.•Anti-inflammatory activity correlated with several flavonoids, phenolic glycosides, and a megastigmane.