Potential of Quercetin in Bitter Melon (Momordica charantia L) as an Antidiabetic: In Silico Study

Roni Yuliwar, I Ketut Sudiana, Kusnanto Kusnanto, Dwi Krihariyanie, Hidayat Arifin


Purpose: The purpose of this study is to predict the in silico molecular interactions of bitter melon quercetin with GLP-1 receptors using the comparable compounds of myricetin and allosteric modulators.
Methods: The in silico test was used to predict the quercetin molecular interactions by docking using the Molegro Virtual Docker computer program. The receptor used was human GLP-1, code PDB: 5VEX with allosteric modulators ligand (97V_1201 [A]). As part from predicting molecular interactions, this study also carried out the prediction of its pharmacokinetic properties (ADME) and the toxicity of quercetin and myricetin using the pkCSM online tool program. The data analysis was performed by comparing the docking bond energies between quercetin, the allosteric modulator ligands and the myricetin comparators at the target receptor. The lower the bond energy of the ligands to the target receptor, the more stable the bonds are. This can be used to predict the biological activity of the compound.
Results: The in silico test results showed that the bond energy of quercetin = -70.2678 kcal/mol, myricetin = -105,298 kcal/mol and allosteric modulators = -126,992 kcal/mol.
Conclusions: The above test results indicate that quercetin has antidiabetic potential by activating the GLP-1 receptor although it is lower than the myricetin and allosteric modulators. The results of the in silico test using the pkCSM online tool program showed that the quercetin compound had good pharmacokinetic properties and a low toxicity level.

Full Text:



Petersmann A, Nauck M, Müller-Wieland D, Kerner W, Müller UA, Landgraf R, et al. Definition, classification and diagnostics of diabetes mellitus. J Lab Med 2018;42:73–9. https://doi.org/10.1515/labmed-2018-0016.

International Diabetes Federation. IDF Diabetes Atlas. 9 th. 2019.

Made P, Pathni SD. Tren Terapi Diabetes dengan GLP-1 Receptor Agonist. Cermin Dunia Kedokt 2018;45:291–6.

Kaur N, Fernandez R, Sim J. Effect of Aloe vera on glycemic outcomes in patients with diabetes mellitus: a systematic review protocol. JBI Database Syst Rev Implement Reports 2017;15:2300–6. https://doi.org/10.11124/JBISRIR-2016-002958.

Tanveer A, Akram K, Farooq U, Hayat Z, Shafi A. Management of diabetic complications through fruit flavonoids as a natural remedy. Crit Rev Food Sci Nutr 2017;57:1411–22. https://doi.org/10.1080/10408398.2014.1000482.

Pires DEV, Blundell TL, Ascher DB. pkCSM: Predicting small-molecule pharmacokinetic and toxicity properties using graph-based signatures. J Med Chem 2015;58:4066–72. https://doi.org/10.1021/acs.jmedchem.5b00104.

Saad D, Soliman M, Baiomy A, Yassin M, El-Sawy H. Effects of Karela (Bitter Melon; Momordica charantia) on genes of lipids and carbohydrates metabolism in experimental hypercholesterolemia: Biochemical, molecular and histopathological study. BMC Complement Altern Med 2017;17:1–13. https://doi.org/10.1186/s12906-017-1833-x.

Soelistjo S, Novida H, Rudijanto A, Soewondo P, Suastika K, Manaf A. Pengelolaan dan Pencegahan Diabetes Melitus Tipe 2 di Indonesia. PB. PERKENI. Jakarta: 2015.

Drucker DJ. Incretin action in the pancreas: Potential promise, possible perils, and pathological pitfalls. Diabetes 2013;62:3316–23. https://doi.org/10.2337/db13-0822.

Saeed F, Afzaal M, Niaz B, Arshad MU, Tufail T, Hussain MB, et al. Bitter melon (Momordica charantia): A natural healthy vegetable. Int J Food Prop 2018;21:1270–90. https://doi.org/10.1080/10942912.2018.1446023.

Kaurinovic B, Vastag D. Flavonoids and Phenolic Acids as Potential Natural Antioxidants. Antioxidants 2019:1–20. https://doi.org/10.5772/intechopen.83731.

Wang W, Sun C, Mao L, Ma P, Liu F, Yang J, et al. The biological activities, chemical stability, metabolism and delivery systems of quercetin: A review. Trends Food Sci Technol 2016;56:21–38. https://doi.org/10.1016/j.tifs.2016.07.004.

Hardjono S. Prediksi Sifat Farmakokinetik , Toksisitas dan Aktivitas sebagai Calon Obat Antikanker melalui Pemodelan Molekul. Ilmu Kefarmasian Indones 2017;14:246–55.

Li Y, Zheng X, Yi X, Liu C, Kong D, Zhang J, et al. Myricetin: A potent approach for the treatment of type 2 diabetes as a natural class b gpcr agonist. FASEB J 2017;31:2603–11. https://doi.org/10.1096/fj.201601339R.

Agustina W, Susanti E, Yunita N, Yamtinah S. Modul Chem Office (Chem Draw & Chem 3D). Surakarta: FKIP Universitas Sebelas Maret Surakarta; 2018.

Bitencourt-Ferreira G, de Azevedo WF. Docking Screens for Drug Discovery. vol. 2053. Humana Press; 2019. https://doi.org/10.1007/978-1-4939-9752-7_12.

Lipinski CA, Lombardo F, Dominy BW, Feeney PJ. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1997;23.

Chander S, Tang CR, Al-Maqtari HM, Jamalis J, Penta A, Hadda T Ben, et al. Synthesis and study of anti-HIV-1 RT activity of 5-benzoyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one derivatives. Bioorg Chem 2017;72:74–9. https://doi.org/10.1016/j.bioorg.2017.03.013.


  • There are currently no refbacks.