Studi in silico Molecular Docking Senyawa Bioaktif Tumbuhan Pelawan (Tristaniopsis merguensis Griff) sebagai Kandidat Inhibitor α-Glukosidase untuk Antidiabetes *In silico* Molecular Docking Study of Bioactive Compounds of the Pelawan Plant (*Tristaniopsis merguensis* Griff) as Candidate α-Glucosidase Inhibitors for Antidiabetes
Article Sidebar
Page Numbers:
1885-1899
Digital Object Identifier:
10.58578/masaliq.v6i4.11178
Viewed: 0 times
Downloaded: 0 times
LYAS Publisher cordially invites qualified professionals to serve as Editors or Reviewers. Your expertise will make an important contribution to maintaining and strengthening the academic quality of our publications. Interested applicants are kindly requested to complete the application form at the following link: Editors & Reviewers
Please feel free to contact us if you need any further information about the submission process or if you have any additional questions.
Authors:
Mesi Anggun Sari1, Trisna Kumala Sari2 
Copyright :
Authors retain copyright and grant the journal right of first publication.
Main Article Content
Abstract
Diabetes mellitus is a metabolic disease with a continuously increasing prevalence and may be influenced by dietary patterns, diet, physical activity, and age. One strategy for controlling it is to inhibit the activity of the α-glucosidase enzyme, which plays a role in breaking down carbohydrates into glucose. Pelawan (Tristaniopsis merguensis Griff.) contains bioactive compounds, such as flavonoids, terpenoids, saponins, and phenols, that have the potential to be developed as antidiabetic agents. This study aimed to evaluate the potential of bioactive compounds from pelawan to inhibit the activity of the α-glucosidase enzyme (PDB ID: 1LHU) through an in silico approach. Molecular docking simulations were performed using PyRx and PyMOL software, while protein–ligand interactions were visualized using Discovery Studio 2025. The results showed that kaempferol had the best binding affinity, with a value of −8.1 kcal/mol, followed by resveratrol, with a value of −7.3 kcal/mol. The visualization results showed interactions between the protein and ligands through hydrogen bonds as well as hydrophobic and alkyl interactions. These findings indicate that kaempferol and resveratrol from T. merguensis have the potential to inhibit α-glucosidase activity. This study supports the potential of bioactive compounds from pelawan as natural antidiabetic candidates and provides a basis for further research to validate their biological activity.
Downloads
Article Details
Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.
References
Agustini, S., Asmaliyah, Hadi, E. E. W., Lestari, N., Purwanto, W., Manalu, L. P., Nasruddin, Saputra, S. H., Nilawati, & Widodo, H. (2025). The bioactive composition and biological activity of Indonesian pelawan (Tristaniopsis merguensis Griff.) aqueous leaf extracts. South African Journal of Chemical Engineering, 52, 336–343. https://doi.org/10.1016/j.sajce.2025.03.005
Barber, E., Houghton, M. J., & Williamson, G. (2021). Flavonoids as human intestinal α-glucosidase inhibitors. Foods, 10(8), Article 1939. https://doi.org/10.3390/foods10081939
Benjamin, M. A. Z., Mohd Mokhtar, R. A., Iqbal, M., Abdullah, A., Azizah, R., Sulistyorini, L., Mahfudh, N., & Zakaria, Z. A. (2024). Medicinal plants of Southeast Asia with anti-α-glucosidase activity as potential source for type-2 diabetes mellitus treatment. Journal of Ethnopharmacology, 330, Article 118239. https://doi.org/10.1016/j.jep.2024.118239
Castro-Alvarez, A., Costa, A. M., & Vilarrasa, J. (2017). The performance of several docking programs at reproducing protein–macrolide-like crystal structures. Molecules, 22(1), Article 136. https://doi.org/10.3390/molecules22010136
Dewi, R. T., Tachibana, S., & Darmawan, A. (2014). Effect on α-glucosidase inhibition and antioxidant activities of butyrolactone derivatives from Aspergillus terreus MC751. Medicinal Chemistry Research, 23(1), 454–460. https://doi.org/10.1007/s00044-013-0659-4
Doan, H. V., Riyajan, S., Iyara, R., & Chudapongse, N. (2018). Antidiabetic activity, glucose uptake stimulation and α-glucosidase inhibitory effect of Chrysophyllum cainito L. stem bark extract. BMC Complementary and Alternative Medicine, 18, Article 267. https://doi.org/10.1186/s12906-018-2328-0
Enggiwanto, S., Istiqomah, F., Daniati, K., Roanisca, O., & Mahardika, R. G. (2018). Ekstraksi Daun Pelawan (Tristaniopsis merguensis) sebagai Antioksidan Menggunakan Microwave Assisted Extraction (MAE). Indonesian Journal of Pure and Applied Chemistry, 1(2), 50–55. https://doi.org/10.26418/indonesian.v1i2.30528
Febriyanti, R. M., Indradi, R. B., Maisyarah, I. T., Iskandar, Y., Susanti, R. D., & Lestari, D. (2025). Alpha-amylase and alpha-glucosidase enzymes inhibition and antioxidant potential of selected medicinal plants used as anti-diabetes by Sundanese community in West Java, Indonesia. BMC Complementary Medicine and Therapies, 25, Article 426. https://doi.org/10.1186/s12906-025-05144-x
Lipinski, C. A., Lombardo, F., Dominy, B. W., & Feeney, P. J. (2001). Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Advanced Drug Delivery Reviews, 46(1–3), 3–26. https://doi.org/10.1016/S0169-409X(00)00129-0
Mahardika, R. G., Roanisca, O., & Sari, F. I. P. (2020). Inhibition of α-glucosidase activity and the toxicity of Tristaniopsis merguensis Griff. leaf extract. Elkawnie, 6(1), 67–76. https://doi.org/10.22373/ekw.v6i1.5732
Murugan, N. A., Podobas, A., Gadioli, D., Vitali, E., Palermo, G., & Markidis, S. (2022). A review on parallel virtual screening softwares for high-performance computers. Pharmaceuticals, 15(1), Article 63. https://doi.org/10.3390/ph15010063
Peng, X., Zhang, G., Liao, Y., & Gong, D. (2016). Inhibitory kinetics and mechanism of kaempferol on α-glucosidase. Food Chemistry, 190, 207–215. https://doi.org/10.1016/j.foodchem.2015.05.088
Pinzi, L., & Rastelli, G. (2019). Molecular docking: Shifting paradigms in drug discovery. International Journal of Molecular Sciences, 20(18), Article 4331. https://doi.org/10.3390/ijms20184331
Rahman, M. M., Dhar, P. S., Sumaia, Anika, F., Ahmed, L., Islam, M. R., Sultana, N. A., Cavalu, S., Pop, O., & Rauf, A. (2022). Exploring the plant-derived bioactive substances as antidiabetic agent: An extensive review. Biomedicine & Pharmacotherapy, 152, Article 113217. https://doi.org/10.1016/j.biopha.2022.113217
Ramírez, D., & Caballero, J. (2018). Is it reliable to take the molecular docking top scoring position as the best solution without considering available structural data? Molecules, 23(5), Article 1038. https://doi.org/10.3390/molecules23051038
Taher, M., Tg Zakaria, T. M. F. S., Susanti, D., & Zakaria, Z. A. (2016). Hypoglycaemic activity of ethanolic extract of Garcinia mangostana Linn. in normoglycaemic and streptozotocin-induced diabetic rats. BMC Complementary and Alternative Medicine, 16, Article 135. https://doi.org/10.1186/s12906-016-1118-9
Weinberg Sibony, R., Segev, O., Dor, S., & Raz, I. (2024). Overview of oxidative stress and inflammation in diabetes. Journal of Diabetes, 16(10), Article e70014. https://doi.org/10.1111/1753-0407.70014
Zhang, A. J., Rimando, A. M., Mizuno, C. S., & Mathews, S. T. (2017). α-Glucosidase inhibitory effect of resveratrol and piceatannol. The Journal of Nutritional Biochemistry, 47, 86–93. https://doi.org/10.1016/j.jnutbio.2017.05.008