Potensi Senyawa Kuersetin sebagai Antikanker Payudara melalui Pendekatan Molecular Docking

https://doi.org/10.35912/jimi.v4i1.4565
Published: Sep 14, 2024

Abstract:

Purpose: This study aims to evaluate the potential of quercetin as an anti-breast cancer agent through a molecular docking-based literature review. Quercetin, a natural flavonoid found in various fruits and vegetables, has attracted interest due to its antioxidant, anti-inflammatory, and anticancer properties. This study focuses on its potential interaction with key molecular targets associated with breast cancer progression..

Methodology: A systematic literature review was conducted using peer-reviewed articles published between 2015 and 2024, sourced from major scientific databases such as PubMed, Scopus, and ScienceDirect. The review focused on molecular docking studies that assessed quercetin's interaction with three principal breast cancer target proteins: Human Epidermal Growth Factor Receptor 2 (HER-2), 2W3L (a mutant form of the Estrogen Receptor), and Sirtuin 1.

Results: Quercetin demonstrated strong binding affinities, with docking scores ranging from -8.0 to -9.5 kcal/mol for HER-2 and 2W3L, indicating stable and favorable interactions. These interactions suggest that quercetin may interfere with breast cancer cell signaling pathways.

Conclusion: The findings suggest that quercetin holds significant promise as an anti-breast cancer compound, particularly through its stable interaction with HER-2 and 2W3L. Nonetheless, further in vitro and in vivo studies are essential to validate these in silico findings and evaluate its pharmacokinetic and pharmacodynamic properties..

Limitations: This study is limited to computational data without experimental validation.

Contribution: This review supports the potential of quercetin in breast cancer drug discovery and highlights the importance of structure-based drug design in identifying novel therapeutic agents.

Keywords:
1. Breast Cancer
2. Molecular Docking
3. Quercetin
Authors:
1 . Saeful Amin
2 . Imelda Wihdatunnisa
3 . Rohmah Aisyah
4 . Yoga Sugama Kurniawan
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How to Cite
Amin, S. ., Wihdatunnisa, I. ., Aisyah, R. ., & Kurniawan, Y. S. . (2024). Potensi Senyawa Kuersetin sebagai Antikanker Payudara melalui Pendekatan Molecular Docking. Jurnal Ilmu Medis Indonesia, 4(1), 41–51. https://doi.org/10.35912/jimi.v4i1.4565
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Vol. 4 No. 1 (2024): September
Articles
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  2. Amin, S., Abidin, A. T., & Fathurohman, M. (2024). Prediksi In Silico Aktivitas Antikanker Payudara dari Metabolit Sekunder Tanaman Babandotan ( Ageratum conyzoides L .). Bakti Tunas Husada Conference Series, 4(1), 267–282.
  3. Amin, Saeful, Hurry, Zulfan Alfairuz Zabbady, Sumantri, Tri Adi, & Fauzi, Rifqi Ahmad. (2024). Studi Komputasional Senyawa Flavonoid Tanaman Obat sebagai Kandidat Agen Antidiabetik. Jurnal Ilmu Medis Indonesia, 4(1), 21-40. doi:10.35912/jimi.v4i1.4553
  4. Amin, Saeful, Muhtar, Nenden Laila Nurafifah, Sumardiawan, Dhiyaa Kaamilah, & Yulianingsih, Tipani Sri Yulianingsih. (2024). Studi In Silico Senyawa Daun Salam Sebagai Antidiabetes Melalui Mekanisme Inhibitor SGLT-2. Jurnal Ilmu Medis Indonesia, 4(1), 21-29. doi:10.35912/jimi.v4i1.4539
  5. Amin, S., & Pratama, D. E. (2025). Peran Kimia Medisinal Dalam Pengembangan Obat Antikanker?: Pendekatan Komputasi Dan Eksplorasi Senyawa Bioaktif Dari Sumber. Science: Indonesian Journal of Science, 1(6), 1356–1361.
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  7. Chen, Pei-Ti, & Yeong, Keng Yoon. (2024). New sirtuin modulators: their uncovering, pharmacophore, and implications in drug discovery. Medicinal Chemistry Research, 33(7), 1064-1078. doi:https://doi.org/10.1007/s00044-024-03249-5
  8. Dnyandev, K. M., Babasaheb, G. V., Chandrashekhar, K. V., Chandrakant, M. A., & Vasant, O. K. (2021). A Review on Molecular Docking. International Research Journal of Pure and Applied Chemistry, 1(2), 60–68. https://doi.org/10.9734/irjpac/2021/v22i330396
  9. Doytchinova, I. (2022). Drug Design—Past, Present, Future. MDPI Molecules, 27(5), 1485–1496.
  10. Fang, Liguang, Gao, Dandan, Wang, Tong, Zhao, Haijun, Zhang, Yanan, & Wang, Shijun. (2024). From nature to clinic: Quercetin’s role in breast cancer immunomodulation. Frontiers in Immunology, 15, 1483459. doi:https://doi.org/10.3389/fimmu.2024.1483459
  11. Fauziah, A., Fatharani, A., Nurawaliah, C. M., Rivianto, F. A., Sakina, I. V., Rahmawati, M., & Nurfadhila, L. (2023). Molecular Docking Senyawa Yang Berpotensi Sebagai Antikanker Payudara: Literature Review. Journal of Pharmaceutical and Sciences, 6(2), 416–427. https://doi.org/10.36490/journal-jps.com.v6i2.34
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  14. John, Jeena, Das, Subham, Kunnath, Anu, Mudgal, Jayesh, & Nandakumar, Krishnadas. (2025). Effects of quercetin and derivatives on NAMPT/Sirtuin-1 metabolic pathway in neuronal cells: an approach to mitigate chemotherapy-induced cognitive impairment. Metabolic Brain Disease, 40(3), 151. doi:http://dx.doi.org/10.1007/s11011-025-01567-0
  15. Kasiri, N., Rahmati, M., Ahmadi, L., Eskandari, N., & Motedayyen, H. (2020). Therapeutic potential of quercetin on human breast cancer in different dimensions. Inflammopharmacology, 28(1), 39–62. https://doi.org/10.1007/s10787-019-00660-y
  16. Laksmiani, N. P. L., Widiastari, M. I., & Reynaldi, K. R. (2017). Skrining Potensi Andrografolid dari Sambiloto (Andrographis paniculata (Burm F.) Ness.) sebagai Antikanker Payudara secara In Silico. Jurnal Farmasi Udayana, 6(1), 50–54.
  17. Lelita, R., Gunawan, R., & Astuti, W. (2017). Molecular Docking Studies Quercetin, Chalcone and its Derivate Inhibitor to Breast Cancer Cells Mcf-7 (Michigan Cancer Foundation-7). Jurnal Atomik, 1(2), 190–196.
  18. Maran, Mageshwaran, Gangadharan, Sanjay, & Emerson, Isaac Arnold. (2022). Molecular dynamics study of quercetin families and its derivative compounds from Carica papaya leaf as breast cancer inhibitors. Chemical Physics Letters, 793, 139470. doi:https://doi.org/10.1016/j.cplett.2022.139470
  19. Nafi’ah, S., & Kurniawati, R. (2020). Kegunaan daun sirsak (Annona muricata L) untuk membunuh sel kanker dan pengganti kemoterapi. Jurnal Ilmiah Keperawatan Dan Kesehatan Alkautsar (JIKKA), 1(1), 1–10.
  20. Nugroho, R. T. (2024). Sintesis Senyawa O-Metilkuersetin Dan Uji Aktivitas Antikanker Senyawa Hasil Metilasi. Fakultas Sains Dan Teknologi Universitas Jambi.
  21. Nurfadhila, L., Muldianah, D., Nurdimayanthi, D. A., Rahmawati, D. S., Hartati, H., & Fadhilah, H. (2023). Review Artikel: Pemanfaatan Kimia Komputasi Dengan Berbagai Metode Dalam Menentukan Desain Senyawa Baru. Journal of Pharmaceutical and Sciences, 6(2), 555–566. https://doi.org/10.36490/journal-jps.com.v6i2.42
  22. Putra, P. R. S., Prasetyo, A. V., & Wahyuni, P. S. E. (2022). Potensi Kuersetin Terenkapsulasi PLGA sebagai Terapi dalam Penatalaksanaan Kanker Payudara. Essential: Essence of Scientific Medical Journal, 20(1), 35. https://doi.org/10.24843/estl.2022.v20.i01.p03
  23. Rastini, M. B. O., Giantari, N. K. M., Adnyani, K. D., & Laksmiani, N. P. L. (2019). Molecular Docking Aktivitas Antikanker Dari Kuersetin Terhadap Kanker Payudara Secara in Silico. Jurnal Kimia, 1(1), 180. https://doi.org/10.24843/jchem.2019.v13.i02.p09
  24. Reynaldi, M. A., & Setiawansyah, A. (2022). Potensi anti-kanker payudara tanaman songga (Strychnos lucida R.Br): Tinjauan interaksi molekuler terhadap reseptor estrogen-? in silico. Sasambo Journal of Pharmacy, 3(1), 30–35. https://doi.org/10.29303/sjp.v3i1.149
  25. Rezki, M. N., Andika, & Rahmawati. (2022). Studi Penambatan Molekuler Senyawa Metabolit Sekunder Buah Semangka (Citrullus Lanatus) Yang Berpotensi Sebagai Anti Inflamasi Melalui Inhibisi COX-2. Medical Sains?: Jurnal Ilmiah Kefarmasian, 7(3), 609–620. https://doi.org/10.37874/ms.v7i3.341
  26. Ruswanto, R. (2015). Molecular Docking Empat Turunan Isonicotinohydrazide PADA Mycobacterium Tuberculosis Enoyl-Acyl Carrier Protein Reductase (InhA). Jurnal Kesehatan Bakti Tunas Husada: Jurnal Ilmu-Ilmu Keperawatan, Analis Kesehatan Dan Farmasi, 13(1), 12–17. https://doi.org/10.36465/jkbth.v13i1.25
  27. Sanga, L. D., & Wangdra, Y. (2023). Pendidikan Adalah Faktor Penentu Daya Saing Bangsa. Prosiding Seminar Nasional Ilmu Sosial Dan Teknologi (SNISTEK), 5(September), 84–90. https://doi.org/10.33884/psnistek.v5i.8067
  28. Savitri, M., & Halimatushadyah, E. (2024). Uji Potensi Antikanker Payudara Pada Ekstrak Meniran ( Phyllanthus Niruri L .) Secara In Vitro Terhadap Sel Line MCF-7. Jurnal Bionatural, 11(2), 52–57.
  29. Setyoningrum, Retno Asih, Lestari, Sally Rizkita, Sari, Ratih Kumala, Visuddho, Visuddho, Hapsari, Rika, & Chafid, Arda Pratama Putra. (2024). White Blood Cell Count and Neutrophil-Lymphocyte Ratio in Children with Complicated and Uncomplicated Pneumonia. Jurnal Ilmu Medis Indonesia, 4(1), 1-7.
  30. Shaw, Siuli, Chourasia, Mukesh, Nayak, Ranu, Kumeria, Tushar, Ghosh, Madhumita P, Santoshi, Seneha, & Bose, Sudeep. (2024). Molecular interaction of quercetin and its derivatives against nucleolin in breast cancer: in-silico and in-vitro study. Journal of Biomolecular Structure and Dynamics, 1-12.
  31. Shofi, M. (2022). Studi In Silico Senyawa Kuarsetin Daun Kencana Ungu (Ruellia Tuberosa L.) Sebagai Agen Antikanker Payudara. Jurnal Sintesis: Penelitian Sains, Terapan Dan Analisisnya, 2(1), 1–9. https://doi.org/10.56399/jst.v2i1.13
  32. Sipahutar, D. I., & Roza, D. (2021). Docking Molekular Potensi Antikanker Payudara Protein 1YC4 Dari Senyawa Turunan Kuersetin. Prosiding Seminar Nasional Kimia & Pendidikan Kimia, 1(1), 445–449.
  33. Syahputra, G. (2015). Peran Bioinformatika dalam Desain Kandidat Molekul Obat. Biotrends, 1(8), 25–27.
  34. Vernanda, Gilang Adi, & Sari, Ike Wuri Winahyu. (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
  35. Yeni, Yeni Tri Nurhayati, Wardana, Farid Aditya, & Pawana, I. Putu Alit. (2025). Pengaruh Circuit Training terhadap Peningkatan Agility pada Pemain Futsal. Jurnal Ilmu Medis Indonesia, 4(1), 9-20. doi:10.35912/jimi.v4i1.4393
  36. Yunita Sari, A., & Febrina, E. (2023). Potensi Senyawa Aktif Tanaman Herbal untuk Pengobatan Kanker Payudara dengan Metode Penambatan Molekuler: Review Artikel. Jurnal Farmasi Udayana, 12(1), 23. https://doi.org/10.24843/jfu.2023.v12.i01.p04

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