Galangin, Galanal A, and α-Farnesene as Anticancer Candidates for Breast Cancer: A Molecular Docking Study: Galangin, Galanal A, dan α-Farnesene sebagai Kandidat Antikanker Kanker Payudara: Kajian Molecular Docking

Gumilang Mutiara Hilia; Indah Rakhmawati Afrida; Aulya Nanda Prafitasari

doi:10.23960/j-bekh.v13i1.459

Authors

Gumilang Mutiara Hilia Biologi Education Program, Faculty of Teacher Training and Education, Muhammadiyah University of Jember, Jember, Indonesia
Indah Rakhmawati Afrida Biologi Education Program, Faculty of Teacher Training and Education, Muhammadiyah University of Jember, Jember, Indonesia
Aulya Nanda Prafitasari Biologi Education Program, Faculty of Teacher Training and Education, Muhammadiyah University of Jember, Jember, Indonesia

DOI:

https://doi.org/10.23960/j-bekh.v13i1.459

Keywords:

Galangin, Galanal A, α-Farnesene, Breast Cancer, Molecular Docking

Abstract

Breast cancer is one of the leading causes of cancer-related deaths among women worldwide. The development of anticancer agents derived from natural compounds continues to be explored due to their high bioactive potential and relatively low toxicity. This study aims to evaluate the anticancer potential of Galangin, Galanal A, and α-Farnesene derived from Alpinia purpurata against breast cancer using an in silico approach. Molecular docking was conducted to analyze binding affinity and residue interactions between the test compounds and the target protein. The docking results showed that Galangin had the lowest binding energy at -235.43 cal/mol, followed by Galanal A (-206.01 cal/mol) and α-Farnesene (-196.48 cal/mol), indicating stable interactions. All three compounds interacted with key residues such as PHE71, LYS75, and GLU68 within the active site of the target protein. Galangin exhibited the highest binding affinity and the greatest number of interacting residues, making it the most promising candidate for inhibiting breast cancer. These findings suggest that Galangin, Galanal A, and α-Farnesene have potential as anticancer agents against breast cancer and warrant further investigation through experimental studies.

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References

[1] A. Naeem et al., “Natural products as anticancer agents: Current status and future perspectives,” Molecules, vol. 27, no. 8367, pp. 1–64, 2022, doi: https://doi.org/10.3390/molecules27238367.

[2] A. Palanirajan, P. Kannappan, and G. Velliyur, “Anticancer activity of Alpinia purpurata ( Vieill ) K . Schum against MNU and testosterone induced prostate cancer in male Wistar albino rats,” Pharmacol. Res. - Mod. Chinese Med., vol. 3, no. May, pp. 1–14, 2022.

[3] M. S. Djati et al., “Antioxidant properties and quantification of phenolic and flavonoid compounds in Alpinia purpurata (Viell.) K. Schum ethanol extract.pdf,” Biotropika Jorunal Trop. Biol., vol. 13, no. 1, pp. 11–15, 2025.

[4] S. Farokhimanesh, M. F. Moghadam, and M. Ebrahimi, “Metastasis inhibition by BRMS1 and miR-31 replacement therapy in claudin-low cell lines,” Iran. J. Basic Med. Sci., vol. 23, no. 2, pp. 264–270, 2020, doi: 10.22038/IJBMS.2019.35674.8500.

[5] R. Zimmermann and D. R. Welch, “BRMS1: A multi-functional signaling molecule matastasis,” Cancer Metastasis Rev, vol. 39, no. 3, pp. 755–768, 2021, doi: 10.1007/s10555-020-09871-0.BRMS1.

[6] S. Farokhimanesh, M. F. Moghadam, M. Ebrahimi, and Z. S. Hashemi, “Metastasis inhibition by cell type specific expression of BRMS1 gene under the regulation of miR200 family response elements,” Cell J., vol. 23, no. 2, pp. 225–237, 2021, doi: 10.22074/cellj.2021.6988.This.

[7] I. R. Afrida, F. Fatchiyah, N. Widodo, M. Amin, and M. S. Djati, “Shogaol, bisdemethoxycurcumin, and curcuminoid: Potential zingiber compounds against covid-19,” Biointerface Res. Appl. Chem., vol. 11, no. 5, pp. 12869–12876, 2021, doi: 10.33263/BRIAC115.1286912876.

[8] N. Mawaddani et al., “In Silico Study of Entry Inhibitor from Moringa oleifera Bioactive Compounds against SARS-CoV-2 Infection,” Pharmacogn. J., vol. 14, no. 5, pp. 565–574, 2022, doi: 10.5530/pj.2022.14.137.

[9] Y. A. Aditama, I. R. Afrida, K. Munandar, and R. Riyanto, “In silico analysis of bioactive compounds from Strobilanthes crispus as MurE inhibitors in Escherichia coli,” Edubiotik J. Pendidikan, Biol. dan Ter., vol. 10, no. 02, pp. 496–506, 2025.

[10] M. Park, D. Kim, S. Ko, A. Kim, K. Mo, and H. Yoon, “Breast cancer metastasis: Mechanisms and therapeutic implications,” Mol. Sci., vol. 23, no. 6806, pp. 1–15, 2022.

[11] L. Pekarek et al., “Clinical and translational applications of serological and histopathological biomarkers in metastatic breast cancer: A comprehensive review,” Mol. Sci., vol. 24, no. 8396, pp. 1–9, 2023.

[12] F. N. Ahlina, N. Nugraheni, I. A. Salsabila, S. Haryanti, M. Da’i, and E. Meiyanto, “Revealing the reversal effect of galangal ( Alpinia galanga L .) extract against oxidative stress in metastatic breast cancer cells and normal fibroblast cells intended as a co-chemotherapeutic and anti-ageing agent,” Asian Pacific J. Cancer Prev., vol. 21, no. 1, pp. 107–117, 2020, doi: 10.31557/APJCP.2020.21.1.107.

[13] P. C. Agu et al., “Molecular docking as a tool for the discovery of molecular targets of nutraceuticals in diseases management,” Nature, vol. 13, no. 13398, pp. 1–18, 2023.

[14] Y. Wu, J. Luo, B. Xu, and P. Access, “Insights into the anticancer effects of galangal and galangin: A comprehensive review,” Phytomedicine, no. December, pp. 1–12, 2024.

[15] Y. Wu, J. Luo, and B. Xu, “Investigation of galangin against colorectal cancer through MAPK signaling pathway modulation,” Int. Immunopharmacol., vol. 166, no. December, pp. 1–7, 2025.

[16] D. Chen et al., “Galangin inhibits epithelial-mesenchymal transition and angiogenesis by downregulating CD44 in glioma,” J. Cancer, vol. 10, no. 19, pp. 4499–4508, 2019, doi: 10.7150/jca.31487.