Differential Metabolomic Fingerprinting of the Crude Extracts of Three Asteraceae Species with Assessment of Their In Vitro Antioxidant and Enzyme-Inhibitory Activities Supported by In Silico Investigations

The Asteraceae is a large family, rich in ornamental, economical, and medicinally valuable plants. current study involves the analytical pharmacological assessment of methanolic extracts three less investigated plants, namely Echinops ritro, Centaurea deflexa, Tripleurospermum decipiens, obtained by different extraction methodologies viz. maceration (MAC), ultrasound-assisted (UAE), homogenizer-assisted (HAE). LC-MS-MS analysis E. C. T. decipiens led to identification ca. 29, 20, 33 metabolites, respectively, belonging flavonoids, phenolic acids, fatty acids/amides. Although there were significant differences quantitative metabolite profiles ritro based on used method, no variation was observed deflexa implemented techniques. antioxidant activities nine assessed vitro using six assays DPPH, ABTS, CUPRAC, FRAP, PDA, metal chelation assay (MCA). HAE/UAE UAE/ MAC displayed highest activity DPPH assay, while UAE extract showed strongest both CUPRAC MCA assays. enzyme inhibitory studied five enzymes tyrosinase, α-amylase, α-glucosidase, acetylcholinesterase (AChE), butyrylcholinestrase (BChE), affecting various pathological diseases. Concerning its /UAE inhibition UAE/HAE strong power AChE. However, difference their effects tyrosinase or BChE. For potent MAC/ HAE significantly inhibited AChE BChE, could strongly inhibit enzyme. all equally α-amylase MAC/HAE affected HAE/MAC best greater extent. Chemometric PCA plot able discriminate between plant samples modes. supported silico data, where such as lignan arctiin flavonoid vicenin-2, dominating binding Similarly, chlorogenic dicaffeoyl quinic which are some major metabolites bound with high affinity α-glucosidase.