Data Sheet 1_Phytochemical profiling and multi-target pharmacological evaluation of Symphyotrichum squamatum unveils its potential as a source of antidiabetic and anti-inflammatory agents.docx

IntroductionThis study aimed to thoroughly profile the phytochemicals and pharmacological properties of Symphyotrichum squamatum's aerial parts to assess its potential as a valuable source of natural therapeutic agents. The research focused on isolating and identifying bioactive compounds and evaluating their antioxidant, cytotoxic, antidiabetic, and anti-inflammatory effects.
MethodChromatographic purification, LC/MS, total flavonoids, total phenolics, molecular docking and different pharmacological activity were used in this study to identify qualitatively and qualitatively the active compounds in extract and its activities.
ResultsChromatographic purification of the petroleum ether and ethyl acetate fractions led to the isolation of four compounds: 3α- Friedelinol, Spinasterol, Dioctyl phthalate, and Kaempferol-3,7- diglucopyranoside. Additionally, the LC/MS profile of the hydro-alcoholic extract identified 35 metabolites, indicating a diverse chemical profile rich in fatty acids, phenolic propanoids, and terpenoids. Quantitative assays confirmed the extracts abundance in phenolics (65.9 ± 3.6 mg GAE/g extract) and flavonoids (25.8 ± 1.1 mg QE/g extract), correlating with notable in vitro antioxidant activity, as shown by low SC50 values of 77.00 μg/mL (DPPH) and 66.00 μg/mL (ABTS). The extract exhibited weak cytotoxicity against Hep-G2 and Panc-1 cell lines. Notably, both the extract and the isolated Kaempferol-3,7- diglucopyranoside demonstrated potent, dose-dependent inhibition of key carbohydrate-digesting enzymes, indicating antidiabetic activity. The flavonoid glycoside was particularly effective against α-amylase (IC50 = 24.29 μg/mL). The extract also showed promising anti-inflammatory activity via COX-1 inhibition (IC50 = 137.51 μg/mL). To explain these bioactivities, molecular docking studies were performed, revealing that the essential compounds, namely Kaempferol-3,7-diglucopyranoside and dicaffeoylquinic acids, form stable, high-affinity interactions with the reactive sites of α-amylase, α-glucosidase, and COX enzymes.
DiscussionThese findings collectively support S. squamatum as a promising candidate for further development in the management of diabetes and inflammation.