Studi In Silico Senyawa Daun Salam Sebagai Antidiabetes Melalui Mekanisme Inhibitor SGLT-2

https://doi.org/10.35912/jimi.v4i1.4539
Published: Sep 10, 2024

Abstract:

Purpose: This study aims to investigate the potential of bioactive compounds from Indonesian bay leaf (Syzygium polyanthum) as Sodium-Glucose Cotransporter-2 (SGLT-2) inhibitors for the treatment of diabetes mellitus using an in silico approach.

Methodology/approach: The methodology included identifying bioactive compounds from bay leaf, preparing the SGLT-2 protein structure, molecular docking using Molegro Virtual Docker, molecular dynamics simulations with YASARA Dynamics, and data analysis focusing on rerank scores and RMSD (Root Mean Square Deviation) values.

Result/findings: The in silico study revealed that several bioactive compounds in bay leaf, such as flavonoids and phenolic acids, exhibit a strong affinity and specific interaction with SGLT-2, which yielded more negative rerank scores than empagliflozin, indicating stronger binding affinity. Molecular dynamics simulations confirmed the stability of ligand-protein binding, particularly for 3,4-dicaffeoylquinic acid.

Conclusions: Bay leaf compounds like flavonoids and phenolic acids showed strong binding to SGLT-2, with better rerank scores than empagliflozin. Molecular dynamics confirmed stable interactions, especially for 3,4-dicaffeoylquinic acid.

Limitations: This study is limited by variations in dosage and treatment duration in existing research, the use of animal models that do not fully replicate human type 2 diabetes, and the need for further in vitro and in vivo validation.

Contribution: This study supports bay leaf as a potential antidiabetic phytopharmaca via SGLT-2 inhibition. In silico methods aid drug discovery and align with evidence of its blood sugar-lowering effects. Further in vitro and in vivo studies are needed to confirm efficacy and safety.

Keywords:
1. Diabetes Mellitus
2. In Silico
3. Molecular Docking
4. Molecular Dynamics
5. SGLT-2 Inhibitor
6. Syzygium polyanthum
Authors:
1 . Saeful Amin
2 . Nenden Laila Nurafifah Muhtar
3 . Dhiyaa Kaamilah Sumardiawan
4 . Tipani Sri Yulianingsih Yulianingsih
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Amin, S. ., Muhtar, N. L. N., Sumardiawan, D. K., & Yulianingsih, T. S. Y. (2024). Studi In Silico Senyawa Daun Salam Sebagai Antidiabetes Melalui Mekanisme Inhibitor SGLT-2. Jurnal Ilmu Medis Indonesia, 4(1), 21–29. https://doi.org/10.35912/jimi.v4i1.4539
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Vol. 4 No. 1 (2024): September
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References

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    Amin, S., Rusdaita, F. C., & Prasetiawati, R. (2024). Bioinformatics Study: Molecular Docking of Cat Whiskers Flavonoid Compounds for the Development of Antidiabetic Candidates. Journal of Information System, Technology and Engineering, 2(4), 331-341. doi:https://doi.org/10.61487/jiste.v2i4.112

    Anggraini, A. (2020). Manfaat Antioksidan Daun Salam Terhadap Kadar Glukosa Darah dan Penurunan Apoptosis Neuron di Hippocampus Otak Tikus yang Mengalami Diabetes. Jurnal Medika Hutama, 2(01 Oktober), 349-355.

    Astriani, M., & Siallagan, M. P. (2024). The implementation of Analytical Hierarchy Process (AHP) to select the best vendor for bio-efficacy trials (case study: the xyz agrochemical company). Journal of Multidisciplinary Academic Business Studies, 1(4), 663-682.

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    Firdaus, M. A., Hidayah, H., Wulansari, N. I., & Pramasari, S. (2023). Jamun (Syzygium Cumini) Skeels: A Traditional Therapeutic And Its Processed Food Products. Jurnal Ilmiah Wahana Pendidikan, 9(15), 184-192. doi:https://doi.org/10.5281/zenodo.8207136

    Galicia-Garcia, U., Benito-Vicente, A., Jebari, S., Larrea-Sebal, A., Siddiqi, H., Uribe, K. B., . . . Martín, C. (2020). Pathophysiology of type 2 diabetes mellitus. International journal of molecular sciences, 21(17), 6275. doi:https://doi.org/10.3390/ijms21176275

    Hardianto, D. (2020). Telaah komprehensif diabetes melitus: klasifikasi, gejala, diagnosis, pencegahan, dan pengobatan. Jurnal bioteknologi dan biosains Indonesia, 7(2), 304-317.

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    Pitriya, I. A., Rahman, N., & Sabang, S. M. (2017). Efek ekstrak buah kelor (Moringa oleifera) terhadap penurunan kadar gula darah mencit (Mus musculus). Jurnal Akademika Kimia, 6(1), 224131.

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    Putri, T. Z. A. D., Findrayani, R. P., Isrul, M., & Lolok, N. (2024). Studi Molecular Docking Senyawa Kimia dari Herba Putri Malu (Mimosa pudica) Terhadap Inhibisi Enzim A-Glukosidase Sebagai Antidiabetes Melitus. Jurnal Pharmacia Mandala Waluya, 3(4), 225-233. doi:https://doi.org/10.54883/jpmw.v3i4.104

    Rissa, M. M. (2022). Mekanisme ekstrak daun salam (Syzygium polyanthum) sebagai Antidiabetes. Jurnal Health Sains, 3(2), 242-249. doi:https://doi.org/10.46799/jhs.v3i2.421

    Roiyan, K., Ichfa, M. S. M., Zakiah, M. P., & Ridwan, S. (2024). Kajian Literatur: Etnomedisin Daun Salam (Syzygium Polyanthum) Di Berbagai Daerah Indonesia Beserta Pembuktian Secara Farmakologis. Jurnal Kesehatan Tambusai, 5(4), 10982-10988. doi:https://doi.org/10.31004/jkt.v5i4.29853

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    Vernanda, G. A., & Sari, I. W. W. (2024). Studi Komparatif: Manajemen Diri pada Pasien Diabetes Mellitus Tipe II di Wilayah Perkotaan dan Pedesaan. Jurnal Ilmu Medis Indonesia, 3(2), 47-57. doi:10.35912/jimi.v3i2.2996

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    Widyawati, T., Yusoff, N. A., Bello, I., Asmawi, M. Z., & Ahmad, M. (2022). Bioactivity-guided fractionation and identification of antidiabetic compound of Syzygium polyanthum (Wight.)’s leaf extract in streptozotocin-induced diabetic rat model. Molecules, 27(20), 6814. doi:https://doi.org/10.3390/molecules27206814

    Yulianti, R., Simanjuntak, P., & Purba, A. V. (2020). Pengembangan sediaan serbuk antidiabetes dari kombinasi ekstrak kulit buah manggis (Garcinia mangostana L.) dan ekstrak daun salam (Syzygium polyanthum (Wight) Walp.). Jurnal Fitofarmaka Indonesia, 7(1), 22-26. doi:https://doi.org/10.33096/jffi.v7i1.593

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  2. Amin, S., Rusdaita, F. C., & Prasetiawati, R. (2024). Bioinformatics Study: Molecular Docking of Cat Whiskers Flavonoid Compounds for the Development of Antidiabetic Candidates. Journal of Information System, Technology and Engineering, 2(4), 331-341. doi:https://doi.org/10.61487/jiste.v2i4.112
  3. Anggraini, A. (2020). Manfaat Antioksidan Daun Salam Terhadap Kadar Glukosa Darah dan Penurunan Apoptosis Neuron di Hippocampus Otak Tikus yang Mengalami Diabetes. Jurnal Medika Hutama, 2(01 Oktober), 349-355.
  4. Astriani, M., & Siallagan, M. P. (2024). The implementation of Analytical Hierarchy Process (AHP) to select the best vendor for bio-efficacy trials (case study: the xyz agrochemical company). Journal of Multidisciplinary Academic Business Studies, 1(4), 663-682.
  5. Bharti, S. S. (2022). Socio-Economic Impact of COVID-19 Pandemic on Small and Medium-scale Enterprises (SMEs) in India. Annals of Management and Organization Research, 3(2), 129-139. doi:10.35912/amor.v3i2.1260
  6. Dewi, N. L. K. A. A., Prameswari, P. N. D., Cahyaningsih, E., Megawati, F., Agustini, N. P. D., & Juliadi, D. (2022). Pemanfaatan Tanaman sebagai Fitoterapi pada Diabetes Mellitus. Usadha, 2(1), 31-42. doi:https://doi.org/10.36733/usadha.v2i1.5562
  7. Firdaus, M. A., Hidayah, H., Wulansari, N. I., & Pramasari, S. (2023). Jamun (Syzygium Cumini) Skeels: A Traditional Therapeutic And Its Processed Food Products. Jurnal Ilmiah Wahana Pendidikan, 9(15), 184-192. doi:https://doi.org/10.5281/zenodo.8207136
  8. Galicia-Garcia, U., Benito-Vicente, A., Jebari, S., Larrea-Sebal, A., Siddiqi, H., Uribe, K. B., . . . Martín, C. (2020). Pathophysiology of type 2 diabetes mellitus. International journal of molecular sciences, 21(17), 6275. doi:https://doi.org/10.3390/ijms21176275
  9. Hardianto, D. (2020). Telaah komprehensif diabetes melitus: klasifikasi, gejala, diagnosis, pencegahan, dan pengobatan. Jurnal bioteknologi dan biosains Indonesia, 7(2), 304-317.
  10. Hendrajaya, A. (2021). Terapi penghambat Sodium Glucose Co-Transporters-2 (SGLT-2) dalam pengobatan Diabetes Melitus Tipe-2 (DM-2): tinjauan pustaka. Intisari Sains Medis, 12(1), 131-136. doi:https://doi.org/10.15562/ism.v12i1.852
  11. Kong, J., Li, L., Yuan, H., Bai, F., Yang, K., Zhao, L., & Xu, S. (2023). In silico discovery of potential sodium–glucose cotransporter-2 inhibitors from natural products for treatment of heart failure via molecular docking and molecular dynamics simulation approach. Journal of Biomolecular Structure and Dynamics, 41(17), 8109-8120. doi:https://doi.org/10.1080/07391102.2022.2130983
  12. Muhammad Afnan, S. H., Abdul Majid, F. A., Zakaria, N. H., Hudiyanti, D., Fadhlina, A., & Sheikh, H. I. (2023). Anti-diabetic properties of traditional herbal concoction containing Eleutherine palmifolia (L.) Merr., Momordica charantia L., and Syzygium polyanthum (Wight.): a bibliometric analysis.
  13. Mulyani, Y., Ryana, N., & Selifiana, N. (2019). Kajian Etnofarmakologi Tumbuhan Obat Oleh Masyarakat Di Kecamatan Tanta Kabupaten Tabalong Provinsi Kalimantan Selatan. Jurnal Insan Farmasi Indonesia, 2(2), 194-204. doi:https://doi.org/10.36387/jifi.v2i2.371
  14. Munâ, F., Damayanti, D. S., & Hakim, R. (2023). Prediksi Daun Annona Muricata Linn. Sebagai Antidiabetes Melalui Aktifasi Protein SUR-1 Dan Inhibisi SGLT-2 Dengan Studi In Silico. Jurnal Kedokteran Komunitas (Journal of Community Medicine), 11(2).
  15. Niu, Y., Cui, W., Liu, R., Wang, S., Ke, H., Lei, X., & Chen, L. (2022). Structural mechanism of SGLT1 inhibitors. Nature Communications, 13(1), 6440. doi:https://doi.org/10.2210/pdb7VSI/pdb
  16. Ozvoldik, K., Stephen, A., & Schwede, T. (2023). YASARA Release Notes.
  17. Pangemanan, T. N. S., Sumampouw, E. J., Lenak, M. M., & Rumengan, I. F. (2022). Kemampuan Senyawa Patelamida E Dari Prochloron Didemni Asal Teluk Manado Sebagai Inhibitor Replikasi SARS-CoV-2 Berdasarkan Kajian Penambatan Molekuler Dengan Autodock. Jurnal Pesisir dan Laut Tropis, 10(1), 1-7. doi:https://doi.org/10.35800/jplt.10.1.2022.54943
  18. Parikesit, A. A., Nurdiansyah, R., & Agustriawan, D. (2019). Penerapan Pendekatan Machine Learning Pada Pengembangan Basis Data Herbal Sebagai Sumber Informasi Kandidat Obat Kanker. Jurnal Teknologi Industri Pertanian, 29(2). doi:https://doi.org/10.24961/j.tek.ind.pert.2019.29.2.175
  19. Pathni, P. M. S. D. (2019). Terapi Diabetes dengan SGLT-2 Inhibitor. Cermin Dunia Kedokteran, 46(6), 397533. doi:https://doi.org/10.55175/cdk.v46i6.471
  20. Pitriya, I. A., Rahman, N., & Sabang, S. M. (2017). Efek ekstrak buah kelor (Moringa oleifera) terhadap penurunan kadar gula darah mencit (Mus musculus). Jurnal Akademika Kimia, 6(1), 224131.
  21. Pramisti, O. (2021). Prediksi aktivitas anti sars-cov-2 senyawa flavonoid dari tanaman sage (salvia officinalis l.) terhadap reseptor main protease (6m2n) secara in silico. Universitas Islam Negeri Maulana Malik Ibrahim.
  22. Prasetyo, A. P., Mumpuni, E., Rahmadhani, S. H., & Amin, S. (2024). Studi In Silico Senyawa Bioaktif Pada Daun Yakon (Smallanthus Sonchifolius), Kayu Secang (Caesalpinia Sappan L.), Daun Salam (Syzygium Polyanthum) Sebagai Antidiabetes Mekanisme Kerja Inhibitor SGLT-2. Pharmaceutical and Biomedical Sciences Journal (PBSJ), 6(2), 72-85. doi:https://doi.org/10.15408/pbsj.v6i2.39508
  23. Putri, T. Z. A. D., Findrayani, R. P., Isrul, M., & Lolok, N. (2024). Studi Molecular Docking Senyawa Kimia dari Herba Putri Malu (Mimosa pudica) Terhadap Inhibisi Enzim A-Glukosidase Sebagai Antidiabetes Melitus. Jurnal Pharmacia Mandala Waluya, 3(4), 225-233. doi:https://doi.org/10.54883/jpmw.v3i4.104
  24. Rissa, M. M. (2022). Mekanisme ekstrak daun salam (Syzygium polyanthum) sebagai Antidiabetes. Jurnal Health Sains, 3(2), 242-249. doi:https://doi.org/10.46799/jhs.v3i2.421
  25. Roiyan, K., Ichfa, M. S. M., Zakiah, M. P., & Ridwan, S. (2024). Kajian Literatur: Etnomedisin Daun Salam (Syzygium Polyanthum) Di Berbagai Daerah Indonesia Beserta Pembuktian Secara Farmakologis. Jurnal Kesehatan Tambusai, 5(4), 10982-10988. doi:https://doi.org/10.31004/jkt.v5i4.29853
  26. Sakaeda, T., Kobuchi, S., Yoshioka, R., Haruna, M., Takahata, N., Ito, Y., . . . Hayakawa, T. (2018). Susceptibility to serious skin and subcutaneous tissue disorders and skin tissue distribution of sodium-dependent glucose co-transporter type 2 (SGLT2) inhibitors. International journal of medical sciences, 15(9), 937. doi:https://doi.org/10.7150/ijms.22224
  27. Setyoningrum, R. A., Lestari, S. R., Sari, R. K., Visuddho, V., Hapsari, R., & Chafid, A. P. P. (2024). White Blood Cell Count and Neutrophil-Lymphocyte Ratio in Children with Complicated and Uncomplicated Pneumonia. Jurnal Ilmu Medis Indonesia, 4(1), 1-7.
  28. Soelistijo, S., Lindarto, D., Decroli, E., Permana, H., Sucipto, K., Kusnadi, Y., & Ikhsan, R. (2021). Pedoman pengelolaan dan pencegahan diabetes melitus tipe 2 dewasa di Indonesia 2021. Global Initiative for Asthma, 46.
  29. Sugiarto, R., Susanti, F., & Samsuni, S. (2024). Penerapan Terapi Non Farmokologi Senam Hipertensi untuk Menurunkan Tekanan Darah Tinggi pada Pasien Hipertensi di Ruangan Flamboyan. Jurnal Ilmu Medis Indonesia, 3(2), 59-64. doi:10.35912/jimi.v3i2.2826
  30. Syabana, M. A., Yuliana, N. D., Batubara, I., & Fardiaz, D. (2022). ?-glucosidase inhibitors from Syzygium polyanthum (Wight) Walp leaves as revealed by metabolomics and in silico approaches. Journal of Ethnopharmacology, 282, 114618. doi:https://doi.org/10.1016/j.jep.2021.114618
  31. Tentolouris, A., Vlachakis, P., Tzeravini, E., Eleftheriadou, I., & Tentolouris, N. (2019). SGLT2 inhibitors: a review of their antidiabetic and cardioprotective effects. International journal of environmental research and public health, 16(16), 2965. doi:https://doi.org/10.3390/ijerph16162965
  32. Vernanda, G. A., & Sari, I. W. W. (2024). Studi Komparatif: Manajemen Diri pada Pasien Diabetes Mellitus Tipe II di Wilayah Perkotaan dan Pedesaan. Jurnal Ilmu Medis Indonesia, 3(2), 47-57. doi:10.35912/jimi.v3i2.2996
  33. Wahidin, M., Achadi, A., Besral, B., Kosen, S., Nadjib, M., Nurwahyuni, A., . . . Kusuma, D. (2024). Projection of diabetes morbidity and mortality till 2045 in Indonesia based on risk factors and NCD prevention and control programs. Scientific reports, 14(1), 5424. doi:https://doi.org/10.1038/s41598-024-54563-2
  34. Widyawati, T., Yusoff, N. A., Bello, I., Asmawi, M. Z., & Ahmad, M. (2022). Bioactivity-guided fractionation and identification of antidiabetic compound of Syzygium polyanthum (Wight.)’s leaf extract in streptozotocin-induced diabetic rat model. Molecules, 27(20), 6814. doi:https://doi.org/10.3390/molecules27206814
  35. Yulianti, R., Simanjuntak, P., & Purba, A. V. (2020). Pengembangan sediaan serbuk antidiabetes dari kombinasi ekstrak kulit buah manggis (Garcinia mangostana L.) dan ekstrak daun salam (Syzygium polyanthum (Wight) Walp.). Jurnal Fitofarmaka Indonesia, 7(1), 22-26. doi:https://doi.org/10.33096/jffi.v7i1.593

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