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J Herbmed Pharmacol. 2025;14(4): 417-425.
doi: 10.34172/jhp.2025.52829
  Abstract View: 26
  PDF Download: 14

Original Article

Evaluating quercetin analogs from Indonesian bioflavonoids for breast cancer: Insights from in silico and cytotoxicity assays

Rusli Rusli 1* ORCID logo, Dwi Syah Fitra Ramadhan 1 ORCID logo, Rusdiaman Rusdiaman 1 ORCID logo, Taufik Muhammad Fakih 2 ORCID logo

1 Department of Pharmacy, Poltekkes Kemenkes Makassar, Jl. Baji Gau No.10, Makassar City, South Sulawesi, Indonesia
2 Department of Pharmacy, Universitas Islam Bandung, Bandung City, West Java, Indonesia
*Corresponding Author: Rusli Rusli, Email: rusfar67@yahoo.com

Abstract

Introduction: Breast cancer remains a leading cause of cancer-related mortality, with HER2-positive and triple-negative breast cancer presenting major therapeutic challenges. Natural bioactive compounds, particularly flavonoids, have gained attention for their anticancer properties. Among them, quercetin and its analogs have exhibited cytotoxic and apoptotic effects against various cancer cell lines. This study explores the anticancer potential of quercetin-derived bioflavonoids from Indonesian plants through bioinformatics and cytotoxicity assays.

Methods: Fifteen quercetin-derived bioflavonoids from Indonesian plants (MarkHerb database) were analyzed in silico using AutoDock and GROMACS to predict interactions with the HER2 receptor. Cytotoxicity against T47D breast cancer cells was assessed using the MTT assay to determine IC50 values.

Results: The in silico analysis revealed strong receptor interactions, with tiliroside exhibiting a binding energy of -8.51 kcal/mol, which is close to that of the native ligand (-10.54 kcal/mol). Tiliroside demonstrated similar amino acid interactions and post-MD stability (100 ns) to the native ligand, outperforming quercetin. Additionally, the MTT assay indicated a moderate cytotoxic effect with an IC50 value of 166.32 µg/mL.

Conclusion: Tiliroside shows promise as a breast cancer therapeutic candidate, supporting further exploration of bioflavonoid-based therapies. This study highlights the potential of natural bioflavonoids in anticancer research through bioinformatics and in vitro analysis.


Implication for health policy/practice/research/medical education:

The findings of this study highlight the potential of quercetin-derived bioflavonoids, particularly tiliroside, as a promising candidate for breast cancer therapy. These insights contribute to the development of bioflavonoid-based alternatives for breast cancer treatment and emphasizes the need for continued investigation into natural anticancer agents.

Please cite this paper as: Rusli R, Ramadhan DSF, Rusdiaman R, Fakih TM. Evaluating quercetin analogs from Indonesian bioflavonoids for breast cancer: Insights from in silico and cytotoxicity assays. J Herbmed Pharmacol. 2025;14(4):417-425. doi: 10.34172/jhp.2025.52829.

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Submitted: 19 Nov 2024
Revision: 11 Mar 2025
Accepted: 12 Mar 2025
ePublished: 01 Oct 2025
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