Studi Komputasional Senyawa Flavonoid Tanaman Obat sebagai Kandidat Agen Antidiabetik

https://doi.org/10.35912/jimi.v4i1.4553
Published: Sep 12, 2024

Abstract:

Purpose: This study aimed to investigate the potential of natural flavonoid compounds brazilin, luteolin, and butein as antidiabetic agents by exploring their interactions with key molecular targets in type 2 diabetes mellitus.

Methodology/approach: This research was conducted using a computational approach involving molecular docking and pharmacokinetic prediction. Docking simulations were performed using AutoDock Vina and PyRx to evaluate the binding affinity of the selected flavonoids to the enzymes ?-glucosidase, ?-amylase, and glucokinase.

Results/findings: The results showed that All three flavonoids exhibited strong binding affinities to ?-glucosidase and ?-amylase, indicating their potential to inhibit carbohydrate-digesting enzymes.

Conclutions: Flavonoids from medicinal plants have potential as natural antidiabetic agents by inhibiting glucose-metabolizing enzymes and modulating insulin pathways. Computational studies have shown strong target interactions and favorable pharmacokinetic profiles, although further in vitro and in vivo validation is needed.

Limitations: The findings of this study were limited to in silico data, and further validation through in vitro and in vivo experiments is necessary to confirm their effectiveness and safety.

Contribution: This research contributes to the field of pharmaceutical sciences and natural product-based drug development, providing valuable insights for researchers and healthcare professionals interested in alternative therapies for diabetes management.

Keywords:
1. Α-Glukosidase
2. Diabetes Mellitus
3. Dok Molekuler
4. Farmakokinetik
5. Flavonoid
Authors:
1 . Saeful Amin
2 . Zulfan Alfairuz Zabbady Hurry
3 . Tri Adi Sumantri
4 . Rifqi Ahmad Fauzi
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How to Cite
Amin, S. ., Hurry, Z. A. Z., Sumantri, T. A. ., & Fauzi, R. A. . (2024). Studi Komputasional Senyawa Flavonoid Tanaman Obat sebagai Kandidat Agen Antidiabetik. Jurnal Ilmu Medis Indonesia, 4(1), 21–40. https://doi.org/10.35912/jimi.v4i1.4553
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Issue & Section
Vol. 4 No. 1 (2024): September
Articles
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References

    Abdullah, Wais, Seno, Djarot Sasongko Hami, & Safithri, Mega. (2024). Total Phenolics, Flavonoids, and ?-Glucosidase Inhibitory Activity of Red Betel (Piper crocatum) Extract in Various Solvents. Indonesian Journal of Applied Research (IJAR), 5(2), 112-123. doi: https://doi.org/10.30997/ijar.v5i2.486

    Adriani, Adriani. (2018). Prediksi senyawa bioaktif dari tanaman Sanrego (Lunasia amara Blanco) sebagai inhibitor enzim siklooksigenase-2(Cox-2) melalui pendekatan molecular docking. Jurnal Ilmiah Pena: Sains dan Ilmu Pendidikan, 10(1), 6-11. doi: https://doi.org/10.22435/bpk.v48i2.3139

    Al-Ishaq, Raghad Khalid, Abotaleb, Mariam, Kubatka, Peter, Kajo, Karol, & Büsselberg, Dietrich. (2019). Flavonoids and their anti-diabetic effects: Cellular mechanisms and effects to improve blood sugar levels. Biomolecules, 9(9), 430. doi: https://doi.org/10.3390/biom9090430

    Ali, Akhtar, Cottrell, Jeremy J, & Dunshea, Frank R. (2023). Antioxidant, alpha-glucosidase inhibition activities, in silico molecular docking and pharmacokinetics study of phenolic compounds from native australian fruits and spices. Antioxidants, 12(2), 254. doi: https://doi.org/10.3390/antiox12020254

    Amin, Saeful, Ismail, Alya Auliya, Andriani, Della, & Wijayanti, Nimas Ayu Kencana. (2025). Potensi Bioaktif Flavonoid dalam Tanaman Herbal: Kajian Literatur Terhadap Aktivitas Antioksidan Ekstrak Daun Cengkeh dan Daun Salam. Journal of Innovative and Creativity, 5(3), 39-46. doi: https://doi.org/10.1016/j.ajps.2017.08.004

    Amin, Saeful, Ma’rifatillah, Putri Nasywa Nabilah, Permatasari, Intan, & Maryam, Siti. (2025). Eksplorasi Kimia Medisinal untuk Terapi Kolesterol Tinggi: Analisis Struktur-Aktivitas dan Target Molekuler Obat. JURNAL RISET RUMPUN ILMU KESEHATAN, 4(1), 109-121. doi: https://doi.org/10.55606/jurrikes.v4i1.4392

    Amin, Saeful, & Putri, Alifia Chlorena. (2025). Studi Literatur: Sintesis dan Karakterisasi Senyawa Turunan Baru dengan Aktivitas Antidiabetes yang Lebih Unggul. Journal of Innovative and Creativity, 5(3), 1-16. doi: https://joecy.org/index.php/joecy

    Aurellia, Rizky Natasya, Fitriana, Adita Silvia, & Febrina, Dina. (2024). MOLECULAR DOCKING STUDIES OF FLAVONOIDS FROM SECANG WOOD (Caesalpinia sappan L.) AGAINST GLUCOKINASE ENZYME AS ANTIDIABETIC CANDIDATES. Jurnal Farmasi Sains dan Praktis, 173-184. doi: https://doi.org/10.31603/pharmacy.v10i2.8228

    Baron, Jomarie. (2022). HIV/AIDS Awareness and the Level of Sexual Risk Behaviors Among Senior High School Students: An Evaluation. Journal of Social, Humanity, and Education, 3(1), 43-55. doi: https://doi.org/10.35912/jshe.v3i1.1145

    Berga, Marta, Logviss, Konstantins, Lauberte, Liga, Paulausks, Art?rs, & Mohylyuk, Valentyn. (2023). Flavonoids in the Spotlight: Bridging the Gap between Physicochemical Properties and Formulation Strategies. Pharmaceuticals, 16(10), 1407. doi:https://doi.org/10.3390/ph16101407

    Bharti, Swaraj S. (2021). 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: https://doi.org/10.35912/amor.v3i2.1260

    Campanilla, Norveen S. (2024). Exploratory analysis of learners’ motivation on learning Mathematics in Philippines. Journal of Social, Humanity, and Education, 5(1), 37-59. doi: https://doi.org/10.35912/jshe.v5i1.2115

    Daina, Antoine, Michielin, Olivier, & Zoete, Vincent. (2017). SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Scientific reports, 7(1), 42717. doi: https://doi.org/10.1038/srep42717

    Demirel, Sadettin. (2024). Vasorelaxant effects of biochemical constituents of various medicinal plants and their benefits in diabetes. World Journal of Diabetes, 15(6), 1122. doi:https://doi.org/10.4239/wjd.v15.i6.1122

    Hernández-Ayala, Luis Felipe, Pérez-González, Adriana, Reina, Miguel, Guzmán-López, Eduardo Gabriel, & Galano, Annia. (2023). Morning Antioxidants: Molecular Insights on the Chemistry of Coffee Components. Preprints, 2023062138. doi: 10.20944/preprints202306.2138.v1

    Ibrahim, Zakari Ya’u, Uzairu, Adamu, Shallangwa, Gideon Adamu, & Abechi, Stephen Eyije. (2021). Pharmacokinetic predictions and docking studies of substituted aryl amine-based triazolopyrimidine designed inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH). Future Journal of Pharmaceutical Sciences, 7, 1-10. doi: https://doi.org/10.1186/s43094-021-00288-2

    Margono, Rinieta Sausan, & Sumiati, Triyani. (2019). Potensi tanaman Indonesia sebagai antidiabetes melalui mekanisme penghambatan enzim ?-glukosidase. Jurnal Farmamedika (Pharmamedika Journal), 4(2), 86-92. doi: https://doi.org/10.47219/ath.v4i2.84

    Nirmal, Nilesh P, Rajput, Mithun S, Prasad, Rangabhatla GSV, & Ahmad, Mehraj. (2015). Brazilin from Caesalpinia sappan heartwood and its pharmacological activities: A review. Asian Pacific Journal of Tropical Medicine, 8(6), 421-430. doi: https://doi.org/10.1016/j.apjtm.2015.05.014

    Nosa, Sulistiana Pramita, Karnila, Rahman, & Diharmi, Andarini. (2020). Potensi kappa karaginan rumput laut (Eucheuma cottonii) sebagai antioksidan dan inhibitor enzim ?-glukosidase. Berkala Perikanan Terubuk, 48(2), 434-449.

    Puspitasari, Yunita Eka, Tuenter, Emmy, Breynaert, Annelies, Foubert, Kenn, Herawati, Herawati, Hariati, Anik Martinah, . . . Hermans, Nina. (2024). ?-glucosidase inhibitory activity of tea and kombucha from Rhizophora mucronata leaves. Beverages, 10(1), 22. doi: https://doi.org/10.3390/beverages1001002

    Rachmania, Rizky Arcinthya, Supandi, Supandi, & Larasati, Oetari Anggun. (2015). Analisis in-silico senyawa diterpenoid lakton herba sambiloto (Andrographis paniculata Nees) pada reseptor alpha-glucosidase sebagai antidiabetes tipe II. PHARMACY: Jurnal Farmasi Indonesia (Pharmaceutical Journal of Indonesia), 12(2), 210-222. doi: https://doi.org/10.1002/jmr.2925

    Ridho, Fiki Muhammad. (2023). Mechanism of Alkaloids and Flavonoids in Bajakah (Uncaria nervosa Elmer) as Antidiabetic Agents. Jurnal Ilmu Medis Indonesia, 3(1), 9-16. doi: 10.35912 / jimi.v3i1.2296

    Saleem, Hammad, Yaqub, Anam, Rafique, Rabiya, Ali Chohan, Tahir, Malik, Durr-e-Shahwar, Tousif, Muhammad Imran, . . . Rengasamy, Kannan RR. (2024). Nutritional and medicinal plants as potential sources of enzyme inhibitors toward the bioactive functional foods: an updated review. Critical Reviews in Food Science and Nutrition, 64(27), 9805-9828. doi:https://doi.org/10.1080/10408398.2023.2217264

    Sari, Indah Wulan, Junaidin, Junaidin, & Pratiwi, Dina. (2020). Studi Molecular Docking Senyawa Flavonoid Herba Kumis Kucing (Orthosiphon Stamineus B.) Pada Reseptor ?-Glukosidase Sebagai Antidiabetes Tipe 2. Jurnal Farmagazine, 7(2), 54-60. doi: 10.47653/farm.v7i2.194

    Setiawan, Hartanto, & Irawan, Mohammad Isa. (2017). Kajian pendekatan penempatan ligan pada protein menggunakan algoritma genetika. Jurnal Sains dan Seni ITS, 6(2), A68-A72. doi: https://doi.org/10.12962/j23373520.v6i2.25468

    Shamsudin, Nur Farisya, Ahmed, Qamar Uddin, Mahmood, Syed, Shah, Syed Adnan Ali, Sarian, Murni Nazira, Khattak, Muhammad Muzaffar Ali Khan, . . . Latip, Jalifah. (2022). Flavonoids as antidiabetic and anti-inflammatory agents: A review on structural activity relationship-based studies and meta-analysis. International journal of molecular sciences, 23(20), 12605. doi: https://doi.org/10.3390/ijms232012605

    Shivam, Gupta, Asheesh K, & Kumar, Sushil. (2023). Review on Diabetic Complications and their Management by Flavonoids and Triterpenoids. The Natural Products Journal, 13(8), 105-114. doi:https://doi.org/10.2174/2210315513666230330082412

    Udodiugwu, Michael Ikenna. (2024). Management of stress amongst state universities’ lecturers for improved performance: A quantitative approach. Annals of Human Resource Management Research, 4(1), 61-77. doi: https://doi.org/10.35912/ahrmr.v4i1.2163

    Watia, Widia, PamudjiWidodoa, Gunawan, & Herowati, Rina. (2020). Syzygium cumini. Jurnal Kimia Sains dan Aplikasi23, 6, 189-195. doi: https://doi.org/10.14710/jksa.23.6.189-195

    Wee, Ma Kyla, Cabantog, Jomar, Magpayo, Danica Dominique, Sabido, Nina Leslie, Samson, Emmanuel, & David, Penuel. (2021). Factors causing vaccine hesitancy among parents in Bulacan. Studies in Medicine and Public Health, 1(1), 15-29. doi: https://doi.org/10.35912/simph.v1i1.715

  1. Abdullah, Wais, Seno, Djarot Sasongko Hami, & Safithri, Mega. (2024). Total Phenolics, Flavonoids, and ?-Glucosidase Inhibitory Activity of Red Betel (Piper crocatum) Extract in Various Solvents. Indonesian Journal of Applied Research (IJAR), 5(2), 112-123. doi: https://doi.org/10.30997/ijar.v5i2.486
  2. Adriani, Adriani. (2018). Prediksi senyawa bioaktif dari tanaman Sanrego (Lunasia amara Blanco) sebagai inhibitor enzim siklooksigenase-2(Cox-2) melalui pendekatan molecular docking. Jurnal Ilmiah Pena: Sains dan Ilmu Pendidikan, 10(1), 6-11. doi: https://doi.org/10.22435/bpk.v48i2.3139
  3. Al-Ishaq, Raghad Khalid, Abotaleb, Mariam, Kubatka, Peter, Kajo, Karol, & Büsselberg, Dietrich. (2019). Flavonoids and their anti-diabetic effects: Cellular mechanisms and effects to improve blood sugar levels. Biomolecules, 9(9), 430. doi: https://doi.org/10.3390/biom9090430
  4. Ali, Akhtar, Cottrell, Jeremy J, & Dunshea, Frank R. (2023). Antioxidant, alpha-glucosidase inhibition activities, in silico molecular docking and pharmacokinetics study of phenolic compounds from native australian fruits and spices. Antioxidants, 12(2), 254. doi: https://doi.org/10.3390/antiox12020254
  5. Amin, Saeful, Ismail, Alya Auliya, Andriani, Della, & Wijayanti, Nimas Ayu Kencana. (2025). Potensi Bioaktif Flavonoid dalam Tanaman Herbal: Kajian Literatur Terhadap Aktivitas Antioksidan Ekstrak Daun Cengkeh dan Daun Salam. Journal of Innovative and Creativity, 5(3), 39-46. doi: https://doi.org/10.1016/j.ajps.2017.08.004
  6. Amin, Saeful, Ma’rifatillah, Putri Nasywa Nabilah, Permatasari, Intan, & Maryam, Siti. (2025). Eksplorasi Kimia Medisinal untuk Terapi Kolesterol Tinggi: Analisis Struktur-Aktivitas dan Target Molekuler Obat. JURNAL RISET RUMPUN ILMU KESEHATAN, 4(1), 109-121. doi: https://doi.org/10.55606/jurrikes.v4i1.4392
  7. Amin, Saeful, & Putri, Alifia Chlorena. (2025). Studi Literatur: Sintesis dan Karakterisasi Senyawa Turunan Baru dengan Aktivitas Antidiabetes yang Lebih Unggul. Journal of Innovative and Creativity, 5(3), 1-16. doi: https://joecy.org/index.php/joecy
  8. Aurellia, Rizky Natasya, Fitriana, Adita Silvia, & Febrina, Dina. (2024). MOLECULAR DOCKING STUDIES OF FLAVONOIDS FROM SECANG WOOD (Caesalpinia sappan L.) AGAINST GLUCOKINASE ENZYME AS ANTIDIABETIC CANDIDATES. Jurnal Farmasi Sains dan Praktis, 173-184. doi: https://doi.org/10.31603/pharmacy.v10i2.8228
  9. Baron, Jomarie. (2022). HIV/AIDS Awareness and the Level of Sexual Risk Behaviors Among Senior High School Students: An Evaluation. Journal of Social, Humanity, and Education, 3(1), 43-55. doi: https://doi.org/10.35912/jshe.v3i1.1145
  10. Berga, Marta, Logviss, Konstantins, Lauberte, Liga, Paulausks, Art?rs, & Mohylyuk, Valentyn. (2023). Flavonoids in the Spotlight: Bridging the Gap between Physicochemical Properties and Formulation Strategies. Pharmaceuticals, 16(10), 1407. doi:https://doi.org/10.3390/ph16101407
  11. Bharti, Swaraj S. (2021). 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: https://doi.org/10.35912/amor.v3i2.1260
  12. Campanilla, Norveen S. (2024). Exploratory analysis of learners’ motivation on learning Mathematics in Philippines. Journal of Social, Humanity, and Education, 5(1), 37-59. doi: https://doi.org/10.35912/jshe.v5i1.2115
  13. Daina, Antoine, Michielin, Olivier, & Zoete, Vincent. (2017). SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Scientific reports, 7(1), 42717. doi: https://doi.org/10.1038/srep42717
  14. Demirel, Sadettin. (2024). Vasorelaxant effects of biochemical constituents of various medicinal plants and their benefits in diabetes. World Journal of Diabetes, 15(6), 1122. doi:https://doi.org/10.4239/wjd.v15.i6.1122
  15. Hernández-Ayala, Luis Felipe, Pérez-González, Adriana, Reina, Miguel, Guzmán-López, Eduardo Gabriel, & Galano, Annia. (2023). Morning Antioxidants: Molecular Insights on the Chemistry of Coffee Components. Preprints, 2023062138. doi: 10.20944/preprints202306.2138.v1
  16. Ibrahim, Zakari Ya’u, Uzairu, Adamu, Shallangwa, Gideon Adamu, & Abechi, Stephen Eyije. (2021). Pharmacokinetic predictions and docking studies of substituted aryl amine-based triazolopyrimidine designed inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH). Future Journal of Pharmaceutical Sciences, 7, 1-10. doi: https://doi.org/10.1186/s43094-021-00288-2
  17. Margono, Rinieta Sausan, & Sumiati, Triyani. (2019). Potensi tanaman Indonesia sebagai antidiabetes melalui mekanisme penghambatan enzim ?-glukosidase. Jurnal Farmamedika (Pharmamedika Journal), 4(2), 86-92. doi: https://doi.org/10.47219/ath.v4i2.84
  18. Nirmal, Nilesh P, Rajput, Mithun S, Prasad, Rangabhatla GSV, & Ahmad, Mehraj. (2015). Brazilin from Caesalpinia sappan heartwood and its pharmacological activities: A review. Asian Pacific Journal of Tropical Medicine, 8(6), 421-430. doi: https://doi.org/10.1016/j.apjtm.2015.05.014
  19. Nosa, Sulistiana Pramita, Karnila, Rahman, & Diharmi, Andarini. (2020). Potensi kappa karaginan rumput laut (Eucheuma cottonii) sebagai antioksidan dan inhibitor enzim ?-glukosidase. Berkala Perikanan Terubuk, 48(2), 434-449.
  20. Puspitasari, Yunita Eka, Tuenter, Emmy, Breynaert, Annelies, Foubert, Kenn, Herawati, Herawati, Hariati, Anik Martinah, . . . Hermans, Nina. (2024). ?-glucosidase inhibitory activity of tea and kombucha from Rhizophora mucronata leaves. Beverages, 10(1), 22. doi: https://doi.org/10.3390/beverages1001002
  21. Rachmania, Rizky Arcinthya, Supandi, Supandi, & Larasati, Oetari Anggun. (2015). Analisis in-silico senyawa diterpenoid lakton herba sambiloto (Andrographis paniculata Nees) pada reseptor alpha-glucosidase sebagai antidiabetes tipe II. PHARMACY: Jurnal Farmasi Indonesia (Pharmaceutical Journal of Indonesia), 12(2), 210-222. doi: https://doi.org/10.1002/jmr.2925
  22. Ridho, Fiki Muhammad. (2023). Mechanism of Alkaloids and Flavonoids in Bajakah (Uncaria nervosa Elmer) as Antidiabetic Agents. Jurnal Ilmu Medis Indonesia, 3(1), 9-16. doi: 10.35912 / jimi.v3i1.2296
  23. Saleem, Hammad, Yaqub, Anam, Rafique, Rabiya, Ali Chohan, Tahir, Malik, Durr-e-Shahwar, Tousif, Muhammad Imran, . . . Rengasamy, Kannan RR. (2024). Nutritional and medicinal plants as potential sources of enzyme inhibitors toward the bioactive functional foods: an updated review. Critical Reviews in Food Science and Nutrition, 64(27), 9805-9828. doi:https://doi.org/10.1080/10408398.2023.2217264
  24. Sari, Indah Wulan, Junaidin, Junaidin, & Pratiwi, Dina. (2020). Studi Molecular Docking Senyawa Flavonoid Herba Kumis Kucing (Orthosiphon Stamineus B.) Pada Reseptor ?-Glukosidase Sebagai Antidiabetes Tipe 2. Jurnal Farmagazine, 7(2), 54-60. doi: 10.47653/farm.v7i2.194
  25. Setiawan, Hartanto, & Irawan, Mohammad Isa. (2017). Kajian pendekatan penempatan ligan pada protein menggunakan algoritma genetika. Jurnal Sains dan Seni ITS, 6(2), A68-A72. doi: https://doi.org/10.12962/j23373520.v6i2.25468
  26. Shamsudin, Nur Farisya, Ahmed, Qamar Uddin, Mahmood, Syed, Shah, Syed Adnan Ali, Sarian, Murni Nazira, Khattak, Muhammad Muzaffar Ali Khan, . . . Latip, Jalifah. (2022). Flavonoids as antidiabetic and anti-inflammatory agents: A review on structural activity relationship-based studies and meta-analysis. International journal of molecular sciences, 23(20), 12605. doi: https://doi.org/10.3390/ijms232012605
  27. Shivam, Gupta, Asheesh K, & Kumar, Sushil. (2023). Review on Diabetic Complications and their Management by Flavonoids and Triterpenoids. The Natural Products Journal, 13(8), 105-114. doi:https://doi.org/10.2174/2210315513666230330082412
  28. Udodiugwu, Michael Ikenna. (2024). Management of stress amongst state universities’ lecturers for improved performance: A quantitative approach. Annals of Human Resource Management Research, 4(1), 61-77. doi: https://doi.org/10.35912/ahrmr.v4i1.2163
  29. Watia, Widia, PamudjiWidodoa, Gunawan, & Herowati, Rina. (2020). Syzygium cumini. Jurnal Kimia Sains dan Aplikasi23, 6, 189-195. doi: https://doi.org/10.14710/jksa.23.6.189-195
  30. Wee, Ma Kyla, Cabantog, Jomar, Magpayo, Danica Dominique, Sabido, Nina Leslie, Samson, Emmanuel, & David, Penuel. (2021). Factors causing vaccine hesitancy among parents in Bulacan. Studies in Medicine and Public Health, 1(1), 15-29. doi: https://doi.org/10.35912/simph.v1i1.715

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