Research Articles
Early Access
Phytochemical profiling and antidiabetic potential of Dactylicapnos scandens root tuber using LC-MS, GC-MS and molecular docking
Department of Biotechnology, Gauhati University, Guwahati 781 014, Assam, India
Department of Applied Science, Indian Institute of Information Technology, Allahabad 211 015, Uttar Pradesh, India
Department of Zoology, Gauhati University, Guwahati 781 014, Assam, India
Department of Biotechnology, Gauhati University, Guwahati 781 014, Assam, India
Department of Biotechnology, Gauhati University, Guwahati 781 014, Assam, India
Department of Biotechnology, Gauhati University, Guwahati 781 014, Assam, India
Abstract
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.
References
- 1. Koirala P, Singh B. Dicentra scandens (D Don) Walp: a potential source of antimicrobial agent. Int J Toxicol Pharmacol Res. 2017;9(1):6–14. https://doi.org/10.25258/ijtpr.v9i01.9031
- 2. Guo C, Jiang Y, Li L, Hong L, Wang Y, Shen Q, et al. Application of a liquid chromatography–tandem mass spectrometry method to the pharmacokinetics, tissue distribution and excretion studies of Dactylicapnos scandens in rats. J Pharm Biomed Anal. 2013;74:92–100. https://doi.org/10.1016/j.jpba.2012.10.011
- 3. Goyal R, Singhal M, Jialal I. Type 2 diabetes. StatPearls. Treasure Island (FL): StatPearls Publishing; 2024.
- 4. International Diabetes Federation. IDF diabetes atlas. 11th ed. Brussels: International Diabetes Federation; 2025.
- 5. Rains JL, Jain SK. Oxidative stress, insulin signaling and diabetes. Free Radic Biol Med. 2011;50(5):567–75. https://doi.org/10.1016/j.freeradbiomed.2010.12.006
- 6. van Gerwen J, Shun-Shion AS, Fazakerley DJ. Insulin signalling and GLUT4 trafficking in insulin resistance. Biochem Soc Trans. 2023;51(3):1057–69. https://doi.org/10.1042/BST20221066
- 7. Entezari M, Hashemi D, Taheriazam A, Zabolian A, Mohammadi S, Fakhri F, et al. AMPK signaling in diabetes mellitus, insulin resistance and diabetic complications: a pre-clinical and clinical investigation. Biomed Pharmacother. 2022;146:112563. https://doi.org/10.1016/j.biopha.2021.112563
- 8. Alqahtani AS, Hidayathulla S, Rehman MT, ElGamal AA, Al-Massarani S, Razmovski-Naumovski V, et al. Alpha-amylase and alpha-glucosidase enzyme inhibition and antioxidant potential of 3-oxolupenal and katononic acid isolated from Nuxia oppositifolia. Biomolecules. 2020;10(1):61. https://doi.org/10.3390/biom10010061
- 9. Ladokun OA, Abiola A, Okikiola D, Ayodeji F. GC-MS and molecular docking studies of Hunteria umbellata methanolic extract as a potent anti-diabetic. Inform Med Unlocked. 2018;13:1–8. https://doi.org/10.1016/j.imu.2018.08.001
- 10. Gunny AA, Prammakumar NK, Ahmad AA, Gopinath SC, Bakar AR, Musa H, et al. Exploring antioxidant and antidiabetic potential of Muntingia calabura leaf extract: in vitro analysis and molecular docking study. Results Chem. 2024;7:101305. https://doi.org/10.1016/j.rechem.2024.101305
- 11. Tran N, Pham B, Le L. Bioactive compounds in anti-diabetic plants: from herbal medicine to modern drug discovery. Biology. 2020;9(9):252. https://doi.org/10.3390/biology9090252
- 12. Yadav RN, Agarwala M. Phytochemical analysis of some medicinal plants. J Phytol. 2011;3(12).
- 13. Kaur J, Dhiman V, Bhadada S, Katare OP, Ghoshal G. LC/MS guided identification of metabolites of different extracts of Cissus quadrangularis. Food Chem Adv. 2022;1:100084. https://doi.org/10.1016/j.focha.2022.100084
- 14. Dilshad R, Ahmad S, Aati HY, Al-Qahtani JH, Sherif AE, Hussain M, et al. Phytochemical profiling, in vitro biological activities and in silico molecular docking studies of Typha domingensis. Arab J Chem. 2022;15(10):104133. https://doi.org/10.1016/j.arabjc.2022.104133
- 15. Azam MN, Biswas P, Tareq MM, Hossain MR, Bibi S, Hoque MA, et al. Identification of antidiabetic inhibitors from Allophylus villosus and Mycetia sinensis by targeting α-glucosidase and PPAR-γ: in vitro, in vivo and computational evidence. Saudi Pharm J. 2024;32(1):101884. https://doi.org/10.1016/j.jsps.2023.101884
- 16. Wickramaratne MN, Punchihewa JC, Wickramaratne DB. In vitro alpha amylase inhibitory activity of the leaf extracts of Adenanthera pavonina. BMC Complement Altern Med. 2016;16(1):466. https://doi.org/10.1186/s12906-016-1452-y
- 17. Ononamadu CJ, Alhassan AJ, Imam AA, Ibrahim A, Ihegboro GO, Owolarafe AT, et al. In vitro and in vivo anti-diabetic and anti-oxidant activities of methanolic leaf extracts of Ocimum canum. Caspian J Intern Med. 2019;10(2):162.
- 18. Kalita A, Das M, Das B, Baro MR. Molecular docking prediction and in vitro studies elucidate anti-inflammatory effect of Garcinia extract against inducible nitric oxide synthase and cyclooxygenase-2 targets. Beni-Suef Univ J Basic Appl Sci. 2022;11(1):32. https://doi.org/10.1186/s43088-022-00214-2
- 19. Pathak M, Ojha H, Tiwari AK, Sharma D, Saini M, Kakkar R. Design, synthesis and biological evaluation of antimalarial activity of new derivatives of 2,4,6-s-triazine. Chem Cent J. 2017;11(1):132. https://doi.org/10.1186/s13065-017-0362-5
- 20. Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, Goodsell DS, et al. AutoDock4 and AutoDockTools4: automated docking with selective receptor flexibility. J Comput Chem. 2009;30(16):2785–91. https://doi.org/10.1002/jcc.21256
- 21. Athar M, Sona AN, Bekono BD, Ntie-Kang F. Fundamental physical and chemical concepts behind drug-likeness and natural product-likeness. Phys Sci Rev. 2019;4(12). https://doi.org/10.1515/psr-2018-0101
- 22. Alam S, Sarker MM, Sultana TN, Chowdhury MN, Rashid MA, Chaity NI, et al. Antidiabetic phytochemicals from medicinal plants: prospective candidates for new drug discovery and development. Front Endocrinol. 2022;13:800714. https://doi.org/10.3389/fendo.2022.800714
- 23. Muhammad I, Rahman N, Nishan U, Shah M. Antidiabetic activities of alkaloids isolated from medicinal plants. Braz J Pharm Sci. 2021;57:e19130. https://doi.org/10.1590/s2175-97902020000419130
- 24. Hermans MM, Kroos MA, Van Beeumen J, Oostra BA, Reuser AJ. Human lysosomal alpha-glucosidase: characterization of the catalytic site. J Biol Chem. 1991;266(21):13507–12. https://doi.org/10.1016/S0021-9258(18)92727-4
- 25. Hua D, Luo W, Duan J, Jin D, Zhou X, Sun C, et al. Screening and identification of potent α-glycosidase inhibitors from Gardenia jasminoides Ellis. S Afr J Bot. 2018;119:377–82. https://doi.org/10.1016/j.sajb.2018.10.004
- 26. Saravana PS, Cho YN, Patil MP, Cho YJ, Kim GD, Park YB, et al. Hydrothermal degradation of seaweed polysaccharide: characterization and biological activities. Food Chem. 2018;268:179–87. https://doi.org/10.1016/j.foodchem.2018.06.077
- 27. Saravanakumar K, Park S, Sathiyaseelan A, Kim KN, Cho SH, Mariadoss AV, et al. Metabolite profiling of methanolic extract of Gardenia jaminoides by LC-MS/MS and GC-MS and its antidiabetic and antioxidant activities. Pharmaceuticals. 2021;14(2):102. https://doi.org/10.3390/ph14020102
- 28. Mogole L, Omwoyo W, Mtunzi F. Phytochemical screening, antioxidant activity and α-amylase inhibition study using different extracts of loquat (Eriobotrya japonica) leaves. Heliyon. 2020;6(8):e04626. https://doi.org/10.1016/j.heliyon.2020.e04736
- 29. Gowd V, Bao T, Wang L, Huang Y, Chen S, Zheng X, et al. Antioxidant and antidiabetic activity of blackberry after gastrointestinal digestion and human gut microbiota fermentation. Food Chem. 2018;269:618–27. https://doi.org/10.1016/j.foodchem.2018.07.020
- 30. Senhaji S, Lamchouri F, Boulfia M, Lachkar N, Bouabid K, Toufik H. Mineral composition, in vitro inhibitory effects of α-amylase, α-glucosidase and β-galactosidase enzymes and antibacterial activity of Ajuga iva subsp. pseudoiva (DC.) Bric. Biointerface Res Appl Chem. 2021;12(2):2373–91. https://doi.org/10.33263/BRIAC122.23732391
- 31. Mujeeb F, Bajpai P, Pathak N. Phytochemical evaluation, antimicrobial activity and determination of bioactive components from leaves of Aegle marmelos. Biomed Res Int. 2014;2014:497606. https://doi.org/10.1155/2014/497606
- 32. Thilak B, Riyas CT, Swapna TS. Identification of bioactive compounds from the ethnomedicinal plant Senna alata (L.) Roxb. through in vitro and molecular docking analysis against α-glucosidase enzyme. Plant Sci Today. 2023;10(3):235–49. https://doi.org/10.14719/pst.2279
- 33. Nagarajan K, Chelladurai MD, Mani S, Pavadai P, Theivendren P, Palanisamy P, et al. Unlocking antidiabetic potential: novel compounds from endophytic fungi isolated from Manihot esculenta Crantz tuberous roots. J Mol Struct. 2025;1337:142083. https://doi.org/10.1016/j.molstruc.2025.142083
- 34. Sharma P, Vijayvergia R. In vitro α-amylase inhibitory activity and GC-MS analysis of Petrea volubilis. Int J Sci Res. 2015;4(4):190–4.
- 35. Agrawal P, Nair MS. An insight into the pharmacological and analytical potential of andrographolide. Fundam Clin Pharmacol. 2022;36(4):586–600. https://doi.org/10.1111/fcp.12757
- 36. Ranjith D, Viswanath S. In silico antidiabetic activity of bioactive compounds in Ipomoea mauritiana Jacq. Pharma Innov J. 2019;8:5–11.
- 37. Palomer X, Pizarro-Delgado J, Barroso E, Vázquez-Carrera M. Palmitic and oleic acid: the yin and yang of fatty acids in type 2 diabetes mellitus. Trends Endocrinol Metab. 2018;29(3):178–90. https://doi.org/10.1016/j.tem.2017.11.009
- 38. Üst Ö, Yalçin E, Çavuşoğlu K, Özkan B. LC–MS/MS, GC–MS and molecular docking analysis for phytochemical fingerprint and bioactivity of Beta vulgaris L. Sci Rep. 2024;14(1):7491. https://doi.org/10.1038/s41598-024-58338-7
- 39. Anigboro AA, Avwioroko OJ, Ohwokevwo OA, Pessu B, Tonukari NJ. Phytochemical profile, antioxidant, α-amylase inhibition, binding interaction and docking studies of Justicia carnea bioactive compounds with α-amylase. Biophys Chem. 2021;269:106529. https://doi.org/10.1016/j.bpc.2020.106529
- 40. Avwioroko OJ, Anigboro AA, Atanu FO, Otuechere CA, Alfred MO, Abugo JN, et al. Investigation of the binding interaction of α-amylase with Chrysophyllum albidum seed extract and its silver nanoparticles: a multi-spectroscopic approach. Chem Data Collect. 2020;29:100517. https://doi.org/10.1016/j.cdc.2020.100517
- 41. Du X, Li Y, Xia YL, Ai SM, Liang J, Sang P, et al. Insights into protein–ligand interactions: mechanisms, models and methods. Int J Mol Sci. 2016;17(2):144. https://doi.org/10.3390/ijms17020144
- 42. Moheb M, Iraji A, Dastyafteh N, Khalili Ghomi M, Noori M, Mojtabavi S, et al. Synthesis and bioactivities evaluation of quinazolin-4(3H)-one derivatives as α-glucosidase inhibitors. BMC Chem. 2022;16(1):97. https://doi.org/10.1186/s13065-022-00885-z
- 43. Naspiah N, Rizki Fadhil Pratama M, Sukardiman S. Xanthine oxidase inhibition activity and ADMET properties of terap (Artocarpus odoratissimus Blanco) leaf metabolites: phytochemical screening and in silico studies. Pharmacogn J. 2021;13(5):1150–60. https://doi.org/10.5530/pj.2021.13.148
Downloads
Download data is not yet available.