Main Article Content
Abstract
Several compounds found within Bawang Dayak, including eleutherine and eleutherol, hold promise as potential therapeutic agentsThis research involved molecular docking and Lipinski rule analysis of 13 ligands derived from flavonoids extracted from bawang dayak. The control ligand, acarbose, was found to form four hydrogen bonds with key amino acids (Gln279, Lys156, Asp242, and Glu411), resulting in a binding energy of -9.8 kcal mol-1. Among the ligands, Ligand 3 displayed a lower binding energy of -9.9 kcal mol-1 compared to acarbose and satisfied all five criteria of Lipinski's rule, despite not forming hydrogen bonds. Instead, Ligand 3 exhibited similar hydrophobic interactions as acarbose with amino acids such as Tyr158, Phe178, Val216, Ser240, Asp242, Glu277, Gln279, His280, Arg315, Asp352, Glu411, and Arg442. Several other ligands exhibited binding energies slightly higher than acarbose, such as Ligands 4, 5, and 8, with binding energies of -8.5 kcal mol-1, -8.6 kcal mol-1, and -8.6 kcal mol-1, respectively. Based on this study, Ligands 3, 4, 5, and 8 are considered potential candidates for anti-diabetic agents. These ligands demonstrated binding energies comparable to acarbose, met at least three of the five Lipinski rule criteria, and exhibited similar amino acid interactions with acarbose, indicating their potential effectiveness in managing diabetes.
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References
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References
Afifah, H. N. (2016). 10367-20815-1-PB. Majalah Farmasetika, 1(4), 1–4.
Chen, D.-L., Hu, M.-G., Liu, Y.-Y., Li, R.-T., Yu, M., Xu, X.-D., & Ma, G.-X. (2018). New Naphthalene Derivatives from the Bulbs of Eleutherine americana with Their Protective Effect on the Injury of HUVECs. Molecules, 23(9), 2111. https://doi.org/10.3390/molecules23092111
Febrinda, A. E., Nurwitri, C. C., & Husyairi, K. A. (2021a). Aktivitas Antioksidan Dan Preferensi Konsumen Pada Minuman Fungsional Berbasis Umbi Bawang Dayak. Jurnal Sains Terapan, 11(2), 11–19. https://doi.org/10.29244/jstsv.11.2.11-19
Febrinda, A. E., Nurwitri, C. C., & Husyairi, K. A. (2021b). Aktivitas Antioksidan Dan Preferensi Konsumen Pada Minuman Fungsional Berbasis Umbi Bawang Dayak. Jurnal Sains Terapan, 11(2), 11–19. https://doi.org/10.29244/jstsv.11.2.11-19
Galicia-Garcia, U., Benito-Vicente, A., Jebari, S., Larrea-Sebal, A., Siddiqi, H., Uribe, K. B., Ostolaza, H., & Martín, C. (2020). Pathophysiology of Type 2 Diabetes Mellitus. International Journal of Molecular Sciences, 21(17), 6275. https://doi.org/10.3390/ijms21176275
Galingging, R. Y. (2009). Bawang dayak (Eleutherine palmifolia) as multifunction medicinal plants. Warta Penelitian Dan Pengembangan, 15(3), 2–4.
Harlita, T. D., -, O., & Asnani, A. (2018a). The Antibacterial Activity of Dayak Onion (Eleutherine palmifolia (L.) Merr) towards Pathogenic Bacteria. Tropical Life Sciences Research, 29(2), 39–52. https://doi.org/10.21315/tlsr2018.29.2.4
Harlita, T. D., -, O., & Asnani, A. (2018b). The Antibacterial Activity of Dayak Onion (Eleutherine palmifolia (L.) Merr) towards Pathogenic Bacteria. Tropical Life Sciences Research, 29(2), 39–52. https://doi.org/10.21315/tlsr2018.29.2.4
Ieyama, T., Gunawan-Puteri, M. D. P. T., & Kawabata, J. (2011). ?-Glucosidase inhibitors from the bulb of Eleutherine americana. Food Chemistry, 128(2), 308–311. https://doi.org/10.1016/j.foodchem.2011.03.021
Ismail, L., Materwala, H., & Al Kaabi, J. (2021). Association of risk factors with type 2 diabetes: A systematic review. Computational and Structural Biotechnology Journal, 19, 1759–1785. https://doi.org/10.1016/j.csbj.2021.03.003
Lestari., Zulkarnain., & Kaabi, J. A. (2021). Diabetes Melitus: Review Etiologi, Patofisiologi, Gejala, Penyebab, Cara Pemeriksaan, Cara Pengobatan dan Cara Pencegahan. Prosiding Biologi Achieving the Sustainable Development Goals with Biodiversity in Confronting Climate Change, 237–241. https://doi.org/10.24252/psb.v7i1.24229
Lipinski, C. A. (2004). Lead- and drug-like compounds: the rule-of-five revolution. Drug Discovery Today: Technologies, 1(4), 337–341. https://doi.org/10.1016/j.ddtec.2004.11.007
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 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1. Advanced Drug Delivery Reviews, 46(1–3), 3–26. https://doi.org/10.1016/S0169-409X(00)00129-0
Lubis, I. A. (2020). Kandungan Fitokimia Serta Kajian Etnofarmakologi Bawang Sabrang (Eleutherine bulbosa (Mill.) Urb). Jurnal Kedokteran Ibnu Nafis. 9 (2). 85-92. https://doi.org/10.30743/jkin.v9i2.134
Mahabusarakam, W., Hemtasin, C., Chakthong, S., Voravuthikunchai, S., & Olawumi, I. (2010). Naphthoquinones, Anthraquinones and Naphthalene Derivatives from the Bulbs of Eleutherine americana. Planta Medica, 76(04), 345–349. https://doi.org/10.1055/s-0029-1186143
Mutiah, R., Minggarwati, T. S., Kristanti, R. A., & Susanti, E. (2019). Compound Identification and Anticancer Activity of Ethyl Acetate Fraction from Bawang Sabrang (Eleutherine palmifolia (L.) Merr.) on HeLa Cervical Cancer Cell Line. Indonesian Journal of Cancer Chemoprevention, 10(3), 131. https://doi.org/10.14499/indonesianjcanchemoprev10iss3pp131-139
Nascimento, M. S., Vieira, J. M. S., Malheiros, L. C. S., Silva junior, J. O. C., Rodrigues, L. C. S., & Barbosa, W. L. R. (2012). Characterisation Of Isoeleutherine in Aqueous Extract Of Eleutherine Plicata Herb, Iridaceae, Active Against Entamoeba Hystolitica/ Entamoeba Dispar In-Vitro. International Journal of Pharmaceutical Sciences and Research, 3(4), 1096–1100. http://www.ijpsr.com/V3I4/25%20Vol.%203,%20Issue%204,%20April%202012-1154,%20Paper%2025.pdf
Naspiah, N., Iskandar, Y., & Moektiwardoyo, M. (2014). Artikel Ulasan: Bawang Tiwai (Eleutherine Americana Merr.), Tanaman Multiguna. Indonesian Journal of Applied Sciences, 4(2). 18-30. https://doi.org/10.24198/.v4i2.16820
Pinzi, L., & Rastelli, G. (2019). Molecular Docking: Shifting Paradigms in Drug Discovery. International Journal of Molecular Sciences, 20(18), 4331. https://doi.org/10.3390/ijms20184331
Pitaloka, A. D., Nurhijriah, C. Y., Musyaffa, H. A., & Azzahra, A. M. (2023). Penambatan Molekuler Konstituen Kimia Tumbuhan Bawang Dayak (Eleutherine Palmifolia (L.) Merr) Terhadap Reseptor Vhr Sebagai Kandidat Obat Antikanker Serviks. Indonesian Journal of Biological Pharmacy. 3(2). 83-95. https://doi.org/10.24198/ijbp.v3i2.45221
Prayitno, B., & Mukti, b. H. (2018). Optimasi Potensi Bawang Dayak (Eleutherine sp.) sebagai Bahan Obat Alternatif. Jurnal Pendidikan Hayati, 4(3), 149–158. https://doi.org/10.33654/jph.v4i3.436
Puspitasari, L. (2023). Fakta Penyakit Diabetes di Indonesia dan Cara Mencegahnya. Https://Www.Siloamhospitals.Com/En/Informasi-Siloam/Artikel/Angka-Diabetes-Di-Indonesia-Semakin-Tinggi-Berikut-Faktanya-1 .
Rakainsa, S. K., & Nisa, K. (2021). Isolasi Dan Elusidasi Struktur Senyawa Dari Ekstrak Bawang Dayak Serta Uji Aktivitas Antibakterinya. JIFI (Jurnal Ilmiah Farmasi Imelda), 4(2), 43–50. https://doi.org/10.52943/jifarmasi.v4i2.501
Trott, O., & Olson, A. J. (2009). AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal of Computational Chemistry. 31(2). 455-461. https://doi.org/10.1002/jcc.21334
WHO. (2020). The Top 10 Causes of Death. Https://Www.Who.Int/News-Room/Fact-Sheets/Detail/the-Top-10-Causes-of-Death