Identification of Homotrigona apicalis propolis compounds as α-glucosidase inhibitors with antidiabetic activity in a molecular docking approach

*Article not assigned to an issue yet

, , , , , , ,


Research Articles | Published:

E-ISSN: 2229-4473.
Website: www.vegetosindia.org
Pub Email: contact@vegetosindia.org
DOI: 10.1007/s42535-025-01538-x
First Page: 0
Last Page: 0
Views: 3

Keywords: Antidiabetic, Type 2 diabetes, α-glucosidase, Molecular docking, Propolis H. apicalisn


Abstract


Type 2 diabetes is a significant global health problem caused by impaired insulin secretion and insulin resistance in body tissues. This study aimed to identify bioactive compounds in Homotrigona apicalis propolis that have α-glucosidase inhibitory potential, demonstrating anti-diabetic properties. Molecular docking was used to study the interaction mechanism between active compounds in H. apicalis propolis and α-glucosidase. Software such as AutoDock, and PyRx were used to predict pharmacokinetic parameters, evaluate toxicity and perform docking simulations. The findings suggest that bioactive compounds in H. apicalis propolis have strong potential as anti-diabetic agents. Compounds such as alpha-amyrin, DM ganodaric acid and rotlerin exhibited higher binding affinity to α-glucosidase than acarbose, with lower binding energy. Docking analysis was supported by an RMSD value of 1.904 Å and rottalerin showed a similar mechanism of action as acarbose. These results indicate that H. apicalis propolis compounds have significant potential as antidiabetic agents and provide important insights for the development of natural ingredient-based antidiabetic therapies.

Antidiabetic, Type 2 diabetes, α-glucosidase, Molecular docking, Propolis H. apicalisn


References


Alassaf FA, Jasim MHM, Alfahad M, Qazzaz ME, Abed MN, Thanoon IAJ (2021) Effects of bee propolis on FBG, HbA1c, and insulin resistance in healthy volunteers. Turk J Pharm Sci 18:405–409. https://doi.org/10.4274/tjps.galenos.2020.50024


Burley SK, Bhikadiya C, Bi C, Bittrich S, Chen L, Crichlow GV, Christie CH, Dalenberg K, Di Costanzo L, Duarte JM, Dutta S, Feng Z, Ganesan S, Goodsell DS, Ghosh S, Green RK, Guranović V, Guzenko D, Hudson BP, Lawson CL, Liang Y, Lowe R, Namkoong H, Peisach E, Persikova I, Randle C, Rose A, Rose Y, Sali A, Segura J, Sekharan M, Shao C, Tao YP, Voigt M, Westbrook JD, Young JY, Zardecki C, Zhuravleva M (2021) RCSB protein data bank: powerful new tools for exploring 3D structures of biological macromolecules for basic and applied research and education in fundamental biology, biomedicine, biotechnology, bioengineering and energy sciences. Nucleic Acids Res 49:D437–D451


Demiati R, Avimaro RA, Kustiawan PM (2024) Antioxidant activity of Homotrigona fimbriata propolis extract. Med Sains J Ilm Kefarmasian 9:41–48. https://doi.org/10.37874/ms.v9i1.916


Fan M, Yang W, Peng Z, Wang G (2022) Chromone-based benzohydrazide derivatives as potential α-glucosidase inhibitor: synthesis, biological evaluation and molecular docking study. Bioorg Chem 131:106276. https://doi.org/10.1016/j.bioorg.2022.106276


Galicia-garcia U, Benito-vicente A, Jebari S, Larrea-sebal A (2020) Costus ignus: insulin plant and it’s preparations as remedial approach for diabetes mellitus. Int J Mol Sci 1–34


Gendokesumo ME, Putra GS, Anwari F, Widianat W, Elysia M (2022) Studi In-silico menghambat enzim α-glukosidase pada fitokimia yang terkandung pada Momordica charantia Linn. (Pare) sebagai terapi diabetes. Akta Kim Indones 7:77. https://doi.org/10.12962/j25493736.v7i1.12588


Hanif AU, Lukis PA, Fadlan A (2020) Pengaruh minimisasi energi MMFF94 dengan MarvinSketch dan open Babel PyRx pada penambatan molekular turunan oksindola tersubstitusi. Alchemy 8:33–40. https://doi.org/10.18860/al.v8i2.10481


Hossain U, Das AK, Ghosh S, Sil PC (2020) An overview on the role of bioactive α-glucosidase inhibitors in ameliorating diabetic complications. Food Chem Toxicol 145:111738. https://doi.org/10.1016/j.fct.2020.111738


Kurnyawaty N, Suwito H, Kusumattaqiin F (2021) Studi in silico potensi aktivitas farmakologi senyawa golongan dihidrotetrazolopirimidin. J Kim 15:172. https://doi.org/10.24843/jchem.2021.v15.i02.p07


Kustiawan PM, Siregar KAAK, Jauhar MM, Ramadhan D, Mardliyati E, Syaifie PH (2024a) Network pharmacology and bioinformatic integrative analysis reveals candidate gene targets and potential therapeutic of East Kalimantan propolis against hepatocellular carcinoma. Heliyon. https://doi.org/10.1016/j.heliyon.2024.e39142


Kustiawan PM, Syahbana MA, Pratika R, Ichsan MN, Mentari IA, Hairunnisa I, Setiawan IM, Syaifie PH, Ramadhan D, Chanchao C (2024b) Investigating the bioactivity potential and standardization of two stingless bee propolis from East Kalimantan. Pharm Sci Res 11:3


Kusumawati N, Haryoto H, Indrayudha P (2021) Penghambatan enzim alpha-glukosidase oleh daun mimba (Azadirachta indica) dan rimpang temu mangga (Curcuma mangga). J Kefarmasian Indones 11:56–64. https://doi.org/10.22435/jki.v11i1.3950


Lin X, Xu Y, Pan X, Xu J, Ding Y, Sun X, Song X, Ren Y, Shan PF (2020) Global, regional, and national burden and trend of diabetes in 195 countries and territories: an analysis from 1990 to 2025. Sci Rep 10:1–11. https://doi.org/10.1038/s41598-020-71908-9


Liu X, Zhu L, Tan J, Zhou X, Xiao L, Yang X, Wang B (2014) Glucosidase inhibitory activity and antioxidant activity of flavonoid compound and triterpenoid compound from Agrimonia pilosa Ledeb. BMC Complement Altern Med 14:1–10. https://doi.org/10.1186/1472-6882-14-12





Mukaide K, Honda S, Vongsak B, Kumazawa S (2021) Prenylflavonoids from propolis collected in Chiang Mai, Thailand. Phytochem Lett 43:88–93


Nisa K, Kustiawan PM (2023) Effectiveness of honey bees propolis extract in the treatment of type 1 diabetes mellitus. J Farm Galen Galen Journal of Pharmacy) (e-Journal) 9:247–256. https://doi.org/10.22487/j24428744.2023.v9.i2.16297


Normi N, Supandi S, Komala I (2024) In silico assessment of chemical constituents of Zingiber officinale Rosc. for anti-diabetic activity: molecular docking with α-glucosidase receptor. Pharm Biomed Sci J 5:132–142. https://doi.org/10.15408/pbsj.v5i2.36161


Nursamsiar N, Mangande M, Awaluddin A, Nur S, Asnawi A (2020) In silico study of aglycon curculigoside A and its derivatives as α-amilase inhibitors. Indones J Pharm Sci Technol 7:29. https://doi.org/10.24198/ijpst.v7i1.23062


Olaokun OO, Zubair MS (2023) Antidiabetic activity, molecular docking, and ADMET properties of compounds isolated from bioactive ethyl acetate fraction of Ficus lutea leaf extract. Molecules. https://doi.org/10.3390/molecules28237717


Phuong DTL, Van Phuong N, Le Tuan N, Cong NT, Hang NT, Thanh LN, Hue VT, Vuong NQ, Ha NTT, Popova M, Trusheva B, Bankova V (2023) Antimicrobial, cytotoxic, and α-glucosidase inhibitory activities of ethanol extract and chemical constituents isolated from Homotrigona apicalis propolis—in vitro and molecular docking studies. Life 13:1–14. https://doi.org/10.3390/life13081682


Pratama AB, Herowati R, Ansory HM (2021) Studi docking molekuler senyawa dalam minyak atsiri pala (Myristica fragrans H.) dan senyawa turunan miristisin terhadap target terapi kanker kulit. Maj Farm 17:233. https://doi.org/10.22146/farmaseutik.v17i2.59297


Purwanto H, Soesilohadi RCH, Trianto M (2022) Stingless bees from meliponiculture in South Kalimantan, Indonesia. Biodiversitas 23:1254–1266. https://doi.org/10.13057/biodiv/d230309


Ramelan NIS, Kustiawan PM (2024) Uji toksisitas akut ekstrak propolis lebah kelulut Geniotrigona thoracica dan Heterotrigona itama terhadap mencit (Mus musculus L.). J Ilm Manuntung 10:144–153


Ren L (2019) Protective effect of ganoderic acid against the streptozotocin induced diabetes, inflammation, hyperlipidemia and microbiota imbalance in diabetic rats. Saudi J Biol Sci 26:1961–1972. https://doi.org/10.1016/j.sjbs.2019.07.005


Rena SR, Nurhidayah N, Rustan R (2022) Analisis molecular docking senyawa Garcinia mangostana L sebagai kandidat anti SARS-CoV-2. J Fisika Unand 11:82–88. https://doi.org/10.25077/jfu.11.1.82-88.2022


Siregar KAAK (2024) Revealing curcumin therapeutic targets on SRC, PPARG, MAPK8 and HSP90 as liver cirrhosis therapy based on comprehensive bioinformatic study. J Biomol Struct Dyn. https://doi.org/10.1080/07391102.2023.2301534


Tong J, Jan J, Zhang Y, Xing X (2025) Novel α-glucosidase inhibitors designed as type 2 diabetes drugs by QSAR, molecular docking and molecular dynamics simulation methods. Chem Biodivers 22:e202401674


Tsunoda T, Samadi A, Burade S, Mahmud T (2022) Complete biosynthetic pathway to the antidiabetic drug acarbose. Nat Commun 13:1–12. https://doi.org/10.1038/s41467-022-31232-4


Wadhwa MA (2020) Alpha glucosidase inhibitors. StatPearls Publ., St. Petersburg


Wibisono N, Martino YA (2023) Uji Aktivitas Antidiabetes Kulit Batang Pulai (Alstonia scholaris) melalui Studi In Silico dan Prediksi Profil Farmakokinetika. J Ilm Biosaintropis Biosci Trop. https://doi.org/10.33474/e-jbst.v8i2.511


Yanti E, Kustiawan PM (2023) Study of Indonesian stingless bee propolis potential as antioxidant: a review. J Farm Sains Dan Prakt 9:261–269

 


Author Information


Faculty of Pharmacy, Universitas Muhammadiyah Kalimantan Timur, Samarinda, Indonesia