Phytochemical profiling and antidiabetic potential of Dactylicapnos scandens root tuber using LC-MS, GC-MS and molecular docking

Dactylicapnos scandens (D. Don) Hutch represents the Papaveraceae family as climbing perennial herbs and is used by traditional healers in India, China, Nepal, Tibet and Vietnam to treat inflammation, diabetes and many other ailments. The current study investigates phytochemical composition and biological activities of root tuber of the plant. The crude extract was screened for bioactive compounds by gas chromatography mass spectroscopy (GC-MS) and liquid chromatography mass spectroscopy (LC-MS). The antidiabetic activity was determined by in vitro enzyme inhibition assays involving α-amylase and α-glucosidase. In silico molecular docking was carried out to confirm antidiabetic potential. In LC–MS analysis of the root tuber of Dioscorea scandens, acebutolol, hydrocortisone, disulfiram, corymbosin, vincamine, gentisic acid and andrographolide were identified. In contrast, GC–MS analysis revealed Z,Z-6,28-heptatriactontadien-2-one, 2-ethylthiolane S,S-dioxide, fumaric acid 3-methylbut-3-enyl octyl ester, succinic acid 4-methoxy-2-methylbutyl octadecyl ester, hexacosyl acetate, 2-methoxy-4-vinylphenol, 2,2-dimethyleicosane, 3-methyl-2-(2-oxopropyl)furan, oleic acid and octadecanoic acid as major components. The enzyme inhibition assay revealed lower activity than the standard drugs acarbose, but the inhibition could be considered significant. In the α-amylase inhibition assay, acarbose showed an IC₅₀ value of 84.60 µg/mL, whereas the extract exhibited IC50 value of 95.98 µg/mL. Similarly, in the α-glucosidase assay, acarbose had the IC50 value of 46.38 µg/mL and root tuber extract showed activity with IC50 value of 66.04 µg/mL. Among the identified phytocompounds, andrographolide displayed strong binding affinities, with binding energies of −8.27 kcal/mol for human pancreatic α-amylase and −9.24 kcal/mol for human small intestinal α-glucosidase. Likewise, vincamine demonstrated notable binding energies of −7.02 kcal/mol with human pancreatic α-amylase and −8.37 kcal/mol with human small intestinal α-glucosidase. Findings suggest that D. scandens crude extract possesses number of antidiabetic phytochemicals. This has significant translational potential for developing antidiabetic therapies. Cytotoxic and mutagenic effect of D. scandens along with synergistic effects of phytoconstituents could be verified for further utilisation of the plant as a source of therapeutic.