Author(s):
Vanthi Ekal, Silambuselvi Kumbamoorthy
Email(s):
vi9357@srmist.edu.in , silambuk1@srmist.edu.in
DOI:
10.52711/0974-360X.2025.00288 
Address:
Vanthi Ekal1, Silambuselvi Kumbamoorthy2*
1Research Scholar, Department of Clinical Nutrition and Dietetics, SRM Medical College Hospital and Research Centre, SRMIST, Kattankulathur, Chengalpattu, India – 603203.
2Associate Professor, Department of Clinical Nutrition and Dietetics, SRM Medical College Hospital and Research Centre, SRMIST, Kattankulathur, Chengalpattu, India – 603203.
*Corresponding Author
Published In:
Volume - 18,
Issue - 5,
Year - 2025
ABSTRACT:
Makhana (Euryale Ferox) is a super functional food with containing phytochemicals such as polyphenols, triterpeniods, alkaloids, flavonoids, essential oils, glycosides and polysaccharides. The polysachcharides of Makhana help the insulin resistant cells to actively absorb glucose, and also trigger the release of insulin. The purpose of this study is to determine the bioactive role of makhana and to isolate medicinally effective compounds from the library of known molecules. About 49 phytochemicals have been identified in Euryale ferox that are being used in research and surveyed via docking study. The Canonical SMILES of these compounds are retrieved from Pubchem and Marvin sketch. The SMILES are then uploaded on SwissADME database and fed into Stitch database to predict the target proteins found to be interacting with Makhana compounds. The Chem3D Ultra 11.0 program was utilised to construct the ligands' three-dimensional structures for analysis. According to the Docking results, PPARG was found to be most associated with Type 1 diabetes mellitus. Screening results of all the 49 compounds of makhana against PPARG (Uniprot ID: A0A0S2Z4K5) using autodock vina displayed the binding energy of Ferotocotrimer E as -11. Based on the binding affinity it can be concluded that the active compound Ferotocotrimer E of Makhana has higher potential to inhibit the growth of islet auto-antibodies associated with Type I diabetes and preserve the health of pancreatic islet beta cells.
Cite this article:
Vanthi Ekal, Silambuselvi Kumbamoorthy. Bioactivity of Makhana in Inhibiting the Development of Islet Autoantibodies: An Insilico study. Research Journal of Pharmacy and Technology. 2025;18(5):2017-2. doi: 10.52711/0974-360X.2025.00288
Cite(Electronic):
Vanthi Ekal, Silambuselvi Kumbamoorthy. Bioactivity of Makhana in Inhibiting the Development of Islet Autoantibodies: An Insilico study. Research Journal of Pharmacy and Technology. 2025;18(5):2017-2. doi: 10.52711/0974-360X.2025.00288 Available on: https://rjptonline.org/AbstractView.aspx?PID=2025-18-5-11
REFERENCES:
1. Kumar et al. Makhana Farming for Maximizing Farm Income: A Success Story. Biotica Research Today. 2020; 2(9): 962-965
2. S.N. Jha. Physical and Hygroscopic Properties of Makhana. Journal of Agricultural Engineering Research. 1999; 72(2): 145-150 https://doi.org/10.1006/jaer.1998.0356
3. Vipul Vikram, Shweta Mishra. A review on Euryale Ferox: Daily dietary regime for Covid -19 patients. Int J Appl Res. 2021; 7(6S): 29-34. doi: 10.22271/allresearch.2021.v7.i6Sa.8607
4. Gurung, A. B., Bhattacharjee, A., and Ali, M. A.. Exploring the physicochemical profile and the binding patterns of selected novel anticancer Himalayan plant derived active compounds with macromolecular targets. Informatics in Medicine Unlocked, 2016; 5, 1–14. doi:10.1016/j.imu.2016.09.004
5. Gopalan, C., Rama Sastri, B.V. and Balasubramanian, S.C. Nutritive Value of Indian Foods. National Institute of Nutrition, ICMR, 1989; 74
6. Lampasona, V. Liberati, D. Islet Autoantibodies. Current Diabetes Reports, 2016; 16(6). doi:10.1007/s11892-016-0738-2.
7. Jia, X. Gu Y. High H. and Yu L. Islet autoantibodies in disease prediction and pathogenesis. Diabetology International, 2019; 11(1), 6–10. doi:10.1007/s13340-019-00414-9
8. Bravis V. Kaur A. Walkey H. C. Godsland I. F. Misra S. Bingley P. J. and Johnston D. G. Relationship between islet autoantibody status and the clinical characteristics of children and adults with incident type 1 diabetes in a UK cohort. BMJ Open, 2018; 8(4), e020904, doi:10.1136/bmjopen-2017-020904
9. Katsarou, Anastasia, et al. Type 1 diabetes mellitus. Nature Reviews Disease Primers. 2017; 3(1): 1-17.
10. Ilonen, Jorma et al. Patterns of β-cell autoantibody appearance and genetic associations during the first years of life. Diabetes. 2013; 62(10): 3636-40. doi:10.2337/db13-0300
11. Mittal R, Sharma S, Mittal A. A Critical Review on Ethnobotanical and Pharmacological Aspects of Euryale Ferox Salisb. Pharmacognosy Journal. 2020; 12(6).
12. Ahmed D, Khan MI, Sharma M, Khan MF. Novel pentacyclic triterpene isolated from seeds of Euryale Ferox Salisb. ameliorates diabetes in streptozotocin induced diabetic rats. Interdiscip Toxicol. 2018; 11(4): 275-288. doi:10.2478/intox-2018-0027
13. Soofi A, Taghizadeh M, Tabatabaei SM, et al. Centrality Analysis of Protein-Protein Interaction Networks and Molecular Docking Prioritize Potential Drug-Targets in Type 1 Diabetes. Iran J Pharm Res. 2020; 19(4): 121-134. doi:10.22037/ijpr.2020.113342.14242
14. Chandran M, George S, Santhalingam K, Gangwar P. Molecular Docking of 3, 5, 7-Trihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-4h-Chromen-4-One Derivatives Against Il-6 for Rheumatoid Arthritis. Asian Journal of Research in Chemistry. 2011; 4(8): 1254-7.
15. Hemalatha K, Selvin J, Girija K. Synthesis, in silico molecular docking study and anti-bacterial evaluation of some novel 4-anilino quinazolines. Asian Journal of Pharmaceutical Research. 2018; 8(3): 125-32.
16. Jiang J, Ou H, Chen R, Lu H, Zhou L, Yang Z. The Ethnopharmacological, Phytochemical, and Pharmacological Review of Euryale ferox Salisb.: A Chinese Medicine Food Homology. Molecules. 2023; 28(11): 4399. doi:10.3390/molecules28114399
17. Hernandez-Quiles M, Broekema MF, Kalkhoven E. PPARgamma in Metabolism, Immunity, and Cancer: Unified and Diverse Mechanisms of Action. Front Endocrinol (Lausanne). 2021; 12: 624112. doi:10.3389/fendo.2021.624112
18. Arun Bahadur Gurung, Atanu Bhattacharjee, Mohammad Ajmal Ali. Exploring the physicochemical profile and the binding patterns of selected novel anticancer Himalayan plant derived active compounds with macromolecular targets. Informatics in Medicine Unlocked. 2016; 5: 1-14 https://doi.org/10.1016/j.imu.2016.09.004.
19. Terefe EM, Ghosh A. Molecular Docking, Validation, Dynamics Simulations, and Pharmacokinetic Prediction of Phytochemicals Isolated From Croton dichogamus Against the HIV-1 Reverse Transcriptase. Bioinform Biol Insights. 2022; 16. doi:10.1177/11779322221125605
20. Han, Z., Luo, J., and Kong, L. Y. Two new tocopherol polymers from the seeds of Euryale ferox. Journal of Asian Natural Products Research. 2012; 14(8): 743–747. https://doi.org/10.1080/10286020.2012.688956
21. Jeyabaskar Suganya, Viswanathan T, Mahendran Radha, Nishandhini Marimuthu. In silico Molecular Docking studies to investigate interactions of natural Camptothecin molecule with diabetic enzymes. Research J. Pharm. and Tech. 2017; 10(9): 2917-2922.
22. Jeyabaskar Suganya, Mahendran Radha, Sharanya Manoharan, Vinoba. V, Astral Francis. Virtual Screening and Analysis of Bioactive Compounds of Momordica charantia against Diabetes using Computational Approaches. Research J. Pharm. and Tech. 2017; 10(10): 3353-3360.
23. Uday M. Satpute, Sachin H. Rohane. Efficiency of AUTODOCK: Insilico study of Pharmaceutical Drug Molecules. Asian J. Research Chem. 2021; 14(1): 92-96.
24. Ahmad S, Usman Mirza M, Yean Kee L, et al. Fragment-based in silico design of SARS-CoV-2 main protease inhibitors. Chem Biol Drug Des. 2021; 98(4): 604-619. doi:10.1111/cbdd.13914
25. Rajagopal K, Varakumar P, Aparna B, Byran G, Jupudi S. Identification of some novel oxazine substituted 9-anilinoacridines as SARS-CoV-2 inhibitors for COVID-19 by molecular docking, free energy calculation and molecular dynamics studies. J Biomol Struct Dyn. 2021; 39(15): 5551-5562. doi:10.1080/07391102.2020.1798285
26. Pavan M, Menin S, Bassani D, Sturlese M, Moro S. Qualitative Estimation of Protein-Ligand Complex Stability through Thermal Titration Molecular Dynamics Simulations. J Chem Inf Model. 2022; 62(22): 5715-5728. doi:10.1021/acs.jcim.2c00995
27. Patil R, Das S, Stanley A, Yadav L, Sudhakar A, Varma AK. Optimized hydrophobic interactions and hydrogen bonding at the target-ligand interface leads the pathways of drug-designing. PLoS One. 2010; 5(8): e12029. doi:10.1371/journal.pone.0012029
28. Ferreira de Freitas R, Schapira M. A systematic analysis of atomic protein-ligand interactions in the PDB. Medchemcomm. 2017; 8(10): 1970-1981. doi:10.1039/c7md00381a
29. Jeyabaskar Suganya, Sharanya Manoharan, Mahendran Radha, Neha Singh, Astral Francis. Identification and Analysis of Natural Compounds as Fungal Inhibitors from Ocimum sanctum using in silico Virtual Screening and Molecular Docking. Research J. Pharm. and Tech. 2017; 10(10): 3369-3374.
30. Karthikeyan Lakshmanan, Hari Baskar Balasubramanian, RajasekaranAiyalu, Arivukkarasu Ramasamy. Molecular Docking Studies of Flavones in Gentianaceae Family against Liver Corrective Targets. Res. J. Pharmacognosy and Phytochem. 2019; 11(2): 49-53.
31. M. Xavier Suresh, J. A. Mahalakshmi, G.Vinisha. Computational Modeling of Novel Drug Targets ftsE and mpt83 for MDRTB and Molecular Docking of Selected Compounds from Medicinal Plants. Research J. Pharm. and Tech. 2018; 11(4): 1413-1420.
32. Sivakumar Muthusamy, Srikanth Jeyabalan. In-Silico and in-Vitro Evaluation of Xanthine Oxidase Inhibition of Zingiber officinalae for Hypouricemic activity. Research J. Pharm. and Tech. 2019; 12(1): 314-320
33. Balakrishnan Purushothaman, Nagarasan Suganthi , Arunachalam Jothi, Kumaran Shanmugam. Molecular Docking Studies of potential anticancer agents from Ocimum basilicum L. against human colorectal cancer regulating genes: An insilico approach. Research J. Pharm. and Tech. 2019; 12(7): 3423-3427
34. Tamilanban T, Naveen Kumar V, Narayanan J, Prathusa S, Dhivya N, Manasa K. In silico Molecular docking of Luteolin from Momordica charantia for dementia in Alzheimer’s disease. Research J. Pharm. and Tech. 2020; 13(5): 2381-2386.
35. Ranjitha Dhevi V. Sundar, Saranya Shankar, Lokesh Ravi, Sathiavelu Arunachalam. Bioactivity of Annona reticulata-An in vitro and in silico Approach. Research J. Pharm. and Tech. 2021; 14(3): 1542-1548.