Studi In Silico Senyawa Erythroxylum laurifolium sebagai Inhibitor α-Glukosidase untuk Terapi Diabetes Tipe 2
DOI:
https://doi.org/10.30595/pharmacy.v22i2.26701Keywords:
Diabetes Melitus tipe 2, Erythroxylum laurifolium, In silico, α-Glukosidase, MGAMAbstract
Diabetes melitus tipe 2 merupakan penyakit metabolik kronis yang memerlukan terapi jangka panjang dengan efek samping yang minimal. Salah satu target terapi potensial adalah enzim α-glukosidase, yang berperan dalam pemecahan karbohidrat menjadi glukosa. Dalam studi ini, tujuh senyawa dari Erythroxylum laurifolium dievaluasi menggunakan pendekatan in silico untuk menilai potensinya sebagai inhibitor α-glukosidase. Hasil evaluasi menunjukan bahwa meskipun sebagian besar senyawa tidak memenuhi kriteria Lipinski’s Rule of Five, efektivitasnya tetap terjamin karena aksi lokal di lumen usus. Senyawa prosianidin B1 memiliki nilai energi bebas Gibbs (ΔG) sebesar –6,93 kkal/mol dengan konstanta inhibisi 8,30 µM, diikuti oleh prosianidin B2 dengan ΔG –5,74 kkal/mol dan konstanta inhibisi 61,90 µM. Afzelin, yang memenuhi tiga dari empat kriteria RO5, menunjukkan ΔG sebesar –5,14 kkal/mol dengan konstanta inhibisi 169,65 µM. Berdasarkan afinitas pengikatan dan potensi farmakologis, prosianidin B1, prosianidin B2, dan afzelin adalah kandidat kuat sebagai inhibitor α-glukosidase. Penelitian lebih lanjut diperlukan untuk mengonfirmasi efektivitas dan keamanannya melalui studi in vitro dan in vivo.
References
Aoki K. et al., 2010. Comparison of adverse gastrointestinal effects of acarbose and miglitol in healthy men: A crossover study, Internal Medicine, 49(12), 1085–1089.
Arwansyah, Hasrianti, 2014. Simulasi molecular docking senyawa kurkumin dan analognya sebagai selective androgen receptor modulators (SARMs) pada kanker prostat, Jurnal Dinamika, 5(2), 60-75.
Aswad M. et al., 2020. Studi penambatan molekul senyawa-senyawa bioaktif dari kulit akar murbei (Morus sp.) terhadap reseptor TNF-α, Majalah Farmasi dan Farmakologi, 23(3), 85–100.
Bahorun T, Neergheen-Bhujun VS, Aruoma OI. 2014. Inhibitory potential of five traditionally used native antidiabetic medicinal plants on α-amylase, α-glucosidase, glucose entrapment, and amylolysis kinetics in vitro, Evidence-Based Complementary and Alternative Medicine, 2014, 739834.
Chen, D., et al., 2016. Regulation of protein-ligand binding affinity by hydrogen bond pairing. Science Advances, 2(3). https://doi.org/10.1126/sciadv.1501240
Fauziyyah RS. et al., 2025. In silico study of secondary metabolite compounds from noni fruit (Morinda citrifolia) as potential drug candidates for type 2 diabetes mellitus targeting PPAR-γ, Indonesian Journal of Chemical Science, 14(1).
Ferreira de Freitas R, Schapira M. 2017. A systematic analysis of atomic protein-ligand interactions in the PDB. MedChemComm, 8(10), 1970–1981.
Hakiki A, Banjarmasin M, Selatan K. 2024. Studi molecular docking dan prediksi ADMET Senyawa turunan kurkumin sebagai inhibitor kasein kinase 2-α, Jurnal Ilmu Kefarmasian, 5(2).
Hubbard RE, Haider MK. 2010. Encyclopedia of Lice Sciences. John Wiley & Sons, Ltd.
International Diabetes Federation, 2021. IDF Diabetes Atlas 10th Edition. Available at: https://diabetesatlas.org
Izzaturahmi AS. et al., 2023. In silico study of licorice (Glycyrrhiza glabra L.) on VEGFR-2 receptors in breast cancer, Indonesian Journal of Biological Pharmacy, 3(3), 137–153.
Juwanti A, Purwanto BT, Poerwono H. 2024. Uji in silico aktivitas analgesik dan toksisitas senyawa turunan N-benzoyl-N'-4-metoksifeniltiourea sebagai calon obat analgesik, Jurnal Wiyata: Penelitian Sains dan Kesehatan, 11(2), 123–132.
Kesuma D. et al., 2018. Uji in silico aktivitas sitotoksik dan toksisitas senyawa turunan N-(benzoil)-N’- feniltiourea sebagai calon obat antikanker, JPSCR: Journal of Pharmaceutical Science and Clinical Research, 3(1), 1.
Lalu S. et al., 2023. Analysis of molecular docking and dynamics simulation of mahogany (Swietenia macrophylla King) compounds against the PLpro enzyme SARS-COV-2, Jurnal Farmasi dan Ilmu Kefarmasian Indonesia, 10(3), 347–359.
Lipinski CA. et al., 1997. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings, Advanced Drug Delivery Reviews, 23(1–3), 3–25.
Mallia A. et al., 2023. Molecular docking of fluorinated heterocyclic sulfonamides: Novel ligands with selective affinities for human and plasmodium dihydrofolate reductase, Journal of Undergraduate Chemistry Research, 22(2), 22.
McIver LA. Preuss CV, Tripp J. 2024. Acarbose. In: StatPearls [Internet]. Treasure Island, FL: StatPearls Publishing. Available at: https://www.ncbi.nlm.nih.gov/books/NBK493214/
National Institute of Diabetes and Digestive and Kidney Diseases. 2012. Acarbose. In LiverTox: Clinical and Research Information on Drug-Induced Liver Injury. Available at: https://www.ncbi.nlm.nih.gov/books/NBK548181/
Picot CMN, Subratty AH, Mahomoodally MF. 2014. Phytochemical profile and antioxidant properties of six medicinal plants of Mauritius, Pharmacologia, 5(1), 42–49.
Pebriana RB. et al., 2012. Docking kurkumin dan senyawa analognya pada reseptor progesteron: Studi interaksinya sebagai selective progesterone receptor modulators (SPRMs), Pharmacon: Jurnal Farmasi Indonesia, 13(2), 55-60.
Pires DEV, Blundell TL, Ascher DB. 2015. pkCSM: Predicting small-molecule pharmacokinetic and toxicity properties using graph-based signatures, Journal of Medicinal Chemistry, 58(9), 4066–4072.
Prasetiawati R, Suherman M, Permana B. 2021. Molecular docking study of anthocyanidin compounds against epidermal growth factor receptor (EGFR) as anti-lung cancer, Indonesian Journal of Pharmaceutical Science and Technology, 8(2), 8-20. ]
Putra PP, Fauzana A, Lucida H. 2020. In silico analysis of physical-chemical properties, target potential, and toxicology of pure compounds from natural products, Indonesian Journal of Pharmaceutical Science and Technology, 7(2), 107–115.
Ray SD. et al., 2024. Anti diabetic agents. In: P. Wexler, ed. Encyclopedia of Toxicology. 4th ed. Vol. 1. Academic Press, 573–589.
Ren L. et al., 2011. Structural insight into substrate specificity of human intestinal maltase-glucoamylase, Protein and Cell, 2(10), 827–836.
Singh B, Sharma RA. 2020. Erythroxylum species. In B. Singh & R. A. Sharma (Eds.), Secondary metabolites of medicinal plants: Ethnopharmacological properties, biological activity and production strategies, 473–485.
Wulandari RP. et al., 2023. In silico study of secondary metabolite compounds in parsley (Petroselinum crispum) as a drug therapy for blood cancer (myeloproliferative neoplasm (MPN)) targeting JAK-2, Indonesian Journal of Chemical Science, 12(2), 31–40.
Yunita Hess A. et al., 2024. In silico study of bioactive compounds in guava leaves (Psidium guajava L.) toward angiotensin converting enzyme (ACE) as target for hypertension, Indonesian Journal of Chemical Science, 13(3).
Downloads
Published
How to Cite
Issue
Section
License
Copyright (c) 2026 PHARMACY: Jurnal Farmasi Indonesia (Pharmaceutical Journal of Indonesia)
This work is licensed under a Creative Commons Attribution 4.0 International License.
Authors who publish with this journal agree to the following terms:
- Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution 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.
- Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal's published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgement of its initial publication in this journal.
- Authors are permitted and encouraged to post their work online (e.g., in institutional repositories or on their website) prior to and during the submission process, as it can lead to productive exchanges, as well as earlier and greater citation of published work (See The Effect of Open Access).
