Integrated Phytochemical Screening, LC–MS Analysis, and Molecular Docking Approach to Evaluate the Therapeutic Potential of Mentha arvensis Leaves
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Abstract
Mentha arvensis L. (Japanese mint) is an aromatic medicinal plant widely recognized for its diverse therapeutic applications. The present study aimed to evaluate the phytochemical composition, LC-MS, antioxidant, antidiabetic, and in-silico potential of M. arvensis leaf extracts. Solvent extract of leaves was analysed qualitatively, which indicated the presence of alkaloids, flavonoids, tannins, phenolics, terpenoids, glycosides, and saponins. The extract exhibited anti-inflammatory activity. The antidiabetic activity of the extract was evaluated against pancreatic alpha amylase using the DNS method. The extract showed dose dependent activity with an IC50 value of 171.77 µg/mL, indicating inhibition of the amylase enzyme. At higher concentration, the extract reduced enzyme activity by 75%. LC–MS analysis identified bioactive compounds like caffeic, p-coumaric, rosmarinic acids, isoorientin, luteolin, hesperidin and carnosic acid. The interaction of these with 4W93 (Human pancreatic alpha-amylase) and 1B2Y (Human pancreatic alpha-amylase) was investigated using in silico molecular docking. The ligands luteolin and rosmarinic acid showed the highest binding energy of -7.5 Kcal/mol as compared to other ligands like isoorientin, p-coumaric acid, hesperidin and carnosic acid, which exhibited a binding affinity of −7.01 kcal/mol to -5.63 kcal /mol against two enzymes. ADMET analysis also indicated favourable pharmacokinetic properties and low toxicity of luteolin. This suggests that Mentha arvensis could serve as a promising natural resource for the pharmaceutical industry in developing eco-friendly, plant-based antidiabetic formulations.
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References
1. World Health Organization. WHO global report on traditional and complementary medicine. World Health Organization. 2019. https://www.who.int/publications/i/item/978924151536
2. Newman DJ, Cragg GM. Natural products as sources of new drugs over the nearly four decades from 01/1981 to 09/2019. J Nat Prod. 2020; 83(3): 770-803. https://doi.org/10.1021/acs.jnatprod.9b01285 .
3. Nazim M, Sadiq QUA, Nawaz A, Anjum S, Ali M, Maryam H. Mentha arvensis, a medicinal and aromatic plant, has high nutritional value and several uses: a review. Bull Agroteknol. 2020;1(2):37-49. https://doi.org/10.32663/ba.v1i2.1180.
4. Faisal S, Tariq MH, Ullah R, Zafar S, Rizwan M, Bibi N, Khattak A, Amir N, Abdullah. Exploring the antibacterial, antidiabetic, and anticancer potential of Mentha arvensis extract through in-silico and in-vitro analysis. BMC Complement Med Ther. 2023;23(1):267. https://doi.org/10.1186/s12906-023-04072-y.
5. Reshu, Mazumder A, Das S. Ethnopharmacological activities of Mentha arvensis: an updated review. Int J Drug Deliv Technol. 2023;13(4):1650-1656. https://doi.org/10.25258/IJDDT.13.4.80.
6. International Diabetes Federation. IDF diabetes atlas (10th ed.). International Diabetes Federation. 2021 https://diabetesatlas.org/
7. Dirir AM, Daou M, Yousef AF, Yousef LF. A review of alpha-glucosidase inhibitors from plants as potential candidates for the treatment of type-2 diabetes. Phytochem Rev. 2022;21(4):1049-1079. https://doi.org/10.1007/s11101-021-09773-1.
8. Faisal S, Tariq MH, Ullah R, Zafar S, Rizwan M, Bibi N, Khattak A, Amir N, Abdullah. Exploring the antibacterial, antidiabetic, and anticancer potential of Mentha arvensis extract through in-silico and in-vitro analysis. BMC Complement. Med. Ther. 2023; 23(1):267. https://doi.org/10.1186/s12906-023-04072-y
9. Stephen MC, Igbokwe NH, Idowu AO, Eze Obiora CE. Preliminary phytochemical and GC-MS screening of ethanol extract of Khaya ivorensis bark, and Flabellaria paniculata and Rhapiostylis beninensis roots. Trop J Phytochem Pharm Sci. 2025; 4 (4): 166 –173. http://www.doi.org/10.26538/tjpps/v4i4.4
10. Okungbowa AI, Amiebenomo RA, Whyte ES. Proximate, phytochemicals, and mineral analysis of Cola acuminata aqueous leaf extract. Trop J Phytochem Pharm Sci. 2025;4(5):204-209. doi:10.26538/tjpps/v4i5.2.
11. Badore A, Pandit P, Nilosey V. Phytochemical screening by GCMS analysis of leaf extracts of Ocimum sanctum and Mentha arvensis in different organic solvents. Orient J Chem. 2024;40(1):176-181. http://dx.doi.org/10.13005/ojc/400122
12. Asghar M, Younas M, Arshad B, Zaman W, Ayaz A, Rasheed S, Shah AH, Ullah F, Saqib S. Bioactive potential of cultivated Mentha arvensis L. for preservation and production of health-oriented food. J Anim Plant Sci. 2022; 32(3):835-844. http://doi.org/10.36899/JAPS.2022.3.0484
13. Chetia J, Saikia LR. Antimicrobial activity assay and phytochemical study of different aerial parts of Mentha arvensis L. collected from Dibrugarh, Assam. J Sci Res. 2020;64(1):103-112. http://doi.org/10.37398/JSR.2020.640115.
14. Mathai RV, Sar SK, Mitra JC, Jindal MK, Wang F. Ethanolic extraction and GC-MS analysis of antioxidant and anticancer bioactive compounds from Mentha arvensis and Aegle marmelos. Nat. Prod. Res. 2025; 39(24):7089-95. https://doi.org/10.1080/14786419.2024.2406993
15. Kaddour SM, Arrar L, Baghiani A. Anti-inflammatory potential evaluation (in-vitro and in-vivo) of Arthrophytum scoparium aerial part. J Drug Deliv Ther. 2020;10(5):213-218. https://doi.org/10.22270/jddt.v10i5.4409.
16. Umar AB, Agbamuche R, Okechukwu CP, Itamah RO, Egbeyinka O, Iroquoian F, Okpimah CC, Ebhohimen IE. In silico evaluation of antidiabetic potential of selected Uvaria chamae phytochemicals as adenosine monophosphate (AMP)-activated protein kinase modulators. Trop J Phytochem Pharm Sci, 2025; 4(9):413 –420 http://www.doi.org/10.26538/tjpps/v4i9.7
17. Adeniran AA, Denaya. Molecular Docking and ADMET Properties of Six Selected cytotoxic compounds from Citrus aurantium And Commiphora africana Against Human Protein Tyrosine Kinase (PTK6) And Human Androgen Receptor (HAR). Trop J Phytochem Pharm. Sci. 2023; 3(5): 319 - 326. http://www.doi.org/10.26538/tjpps/v3i5.5
18. Adepoju AJ, Adepoju AA, Olawoore IT, Ayodele ET. Phytochemical profiling, antioxidant, and antidiabetic activities of defatted ethanol aerial extract of Heliotropium indicum: Insights from GC-MS and in vitro studies. Trop J Phytochem Pharm Sci. 2025; 4(8) 320 –328 http://www.doi.org/10.26538/tjpps/v4i8.1
19. Ngo TV, Scarlett CJ, Bowyer MC, Ngo PD, Vuong QV. Impact of different extraction solvents on bioactive compounds and antioxidant capacity from the root of Salacia chinensis L. J. Food Qual. 2017; (1):9305047. https://doi.org/10.1155/2017/9305047
20. Azwanida NN. A review on the extraction methods used in medicinal plants, principle, strength and limitation. Med aromat plants. 2015; 4(196):2167-0412.
21. Abubakar AR, Haque M. Preparation of medicinal plants: Basic extraction and fractionation procedures for experimental purposes. J. Pharm. Bioallied Sci. 2020; 12(1):1-0. https://www.ovid.com/10.4103/jpbs.JPBS_175_19
22. Sultana B, Anwar F, Ashraf M. Effect of extraction solvent/technique on the antioxidant activity of selected medicinal plant extracts. Molecules. 2009;14(6):2167-80. https://doi.org/10.3390/molecules14062167
23. Shen D, Pan MH, Wu QL, Park CH, Juliani HR, Ho CT, Simon JE. A rapid LC/MS/MS method for the analysis of non-volatile anti-inflammatory agents from Mentha spp. J food sci. 2011;76(6): C900-8. https://doi.org/10.1111/j.1750-3841.2011.02281
24. Pratyusha BB, Sparjan Samuvel RM, Nivetha S, Bhuvaneshwari V, Muralidharan K, Swain D, Ramalingam V. LC-HRMS analysis of corn mint Mentha arvensis L. for anticancer activity against triple-negative breast cancer targeting inflammatory and apoptosis signalling pathways. New J. Chem. 2024; 48(2):760-9. https://doi.org/10.1039/d3nj04548j
25. Cavar Zeljkovic S, Siskova J, Komzakova K, De Diego N, Kaffkova K, Tarkowski P. Phenolic compounds and biological activity of selected Mentha species. Plants. 2021; 10(3):550. https://doi.org/10.3390/plants10030550
26. Mizushima Y, Kobayashi M. Interaction of anti‐inflammatory drugs with serum proteins, especially with some biologically active proteins. J. Pharm. Pharmacol. 1968; 20(3):169-73. https://doi.org/10.1111/j.2042-7158.1968.tb09718.x
27. Shah AA, Samarah K, Khushi K, Aman R, Vijay K, Amit G. Comparative assessment of phytochemical content and antioxidant activity of Mentha arvensis procured from Summit and Rivulet. J Med Pharm Allied Sci. 2022; 11:5075-84. https://doi.org/10.55522/jmpas.V11I4.2461
28. Adisakwattana S, Ruengsamran T, Kampa P, Sompong W. In vitro inhibitory effects of plant-based foods and their combinations on intestinal α-glucosidase and pancreatic α-amylase. BMC Complement Altern Med 2012; 12, 110.https://doi.org/10.1186/1472-6882-12-110
29. Al-Omar MS, Mohammed HA, Mohammed SA, Abd-Elmoniem E, Kandil YI, Eldeeb HM, Chigurupati S, Sulaiman GM, Al-Khurayyif HK, Almansour BS, Suryavamshi PM. Anti-microbial, anti-oxidant, and α-amylase inhibitory activity of traditionally-used medicinal herbs: A comparative analyses of pharmacology, and phytoconstituents of regional halophytic plants’ diaspora. Molecules. 2020; 25(22):5457. https://doi.org/10.3390/molecules25225457
30. Mueed A, Shibli S, Al-Quwaie DA, Ashkan MF, Alharbi M, Alanazi H, Binothman N, Aljadani M, Majrashi KA, Huwaikem M, Abourehab MA. Extraction, characterization of polyphenols from certain medicinal plants and evaluation of their antioxidant, antitumor, antidiabetic, antimicrobial properties, and potential use in human nutrition. Frontiers in Nutrition. 2023; 10:1125106. https://doi.org/10.3389/fnut.2023.1125106
31. Laskowski RA. PDBsum: Summaries and analyses of PDB structures. Nucleic Acids Research, 2001;29(1), 221–222. https://doi.org/10.1093/nar/29.1.221
32. Laskowski RA, MacArthur MW, Moss DS, Thornton JM. PROCHECK: a program to check the stereochemical quality of protein structures. Applied Crystallography. 1993; 26(2):283-91. https://doi.org/10.1107/S0021889892009944
33. Lovell SC, Davis IW, Arendall III WB, De Bakker PI, Word JM, Prisant MG, Richardson JS, Richardson DC. Structure validation by Cα geometry: ϕ, ψ and Cβ deviation. Proteins: Structure, Function, and Bioinformatics. 2003 Feb 15;50(3):437-50. https://doi.org/10.1002/prot.10286
34. Hyllus P, Laskowski W, Krischek R, Schwemmer C, Wieczorek W, Weinfurter H, Pezzé L, Smerzi A. Fisher information and multiparticle entanglement. Physical Review A—Atomic, Molecular, and Optical Physics. 2012; 85(2):022321. https://doi.org/10.1103/PhysRevA.85.022321
35. Geourjon C, Deleage G. SOPMA: significant improvements in protein secondary structure prediction by consensus prediction from multiple alignments. Bioinformatics. 1995; 11(6):681-4. https://doi.org/10.1093/bioinformatics/11.6.681
36. Bissantz C, Kuhn B, Stahl M. A medicinal chemist’s guide to molecular interactions. J. Med. Chem. 2010; 53(14):5061-84. https://doi.org/10.1021/jm100112j
37. Guan M, Guo L, Ma H, Wu H, Fan X. Network pharmacology and molecular docking suggest the mechanism for biological activity of rosmarinic acid. Evidence‐Based Complementary and Alternative Medicine. 2021;1. https://doi.org/10.1155/2021/5190808
38. Ballesteros-Ramirez R, Pinilla P, Sanchez J, Arevalo M, Sanchez E, Aschner P, Urueña C, Fiorentino S. Exploring the safety and efficacy of phytomedicine Petiveria alliacea extract (Esperanza) in patients with metastatic gastrointestinal tumors and acute leukemias: study protocol for a phase Ib/randomized double blind phase II trial (PA001). BMC Complementary Medicine and Therapies. 2023; 23(1):284. https://doi.org/10.1186/s12906-023-04109-2
39. Trott O, Olson AJ. AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function. J. Comput. Chem., 2010; 31(2):455–461. https://doi.org/10.1002/jcc.21334
40. Mendie LE, Hemalatha S. Molecular docking of phytochemicals targeting GFRs as therapeutic sites for cancer: an in silico study. Appl Biochem Biotechnol. 2022;194(1):215-31. https://doi.org/10.1007/s12010-021-03791-7