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Pharmacokinetic and Molecular Docking Analysis of Matricaria chamomilla Flavonoids Against Breast Cancer Targets

Year 2025, Volume: 9 Issue: 5, 54 - 61

Burcu Çöpcü

Abstract

In this study, the pharmacokinetic, toxicological, and drug-likeness profiles of Quercetin, Luteolin, Apigenin natural flavonoids and active compounds found in the chamomile plant and Dibenzo-p-dioxin were comparatively analyzed using in silico methods. ADME (Absorption, Distribution, Metabolism, and Excretion) parameters, Lipinski’s Rule of Five, cellular permeability, blood-brain barrier penetration potential, metabolic stability, and cardiotoxicity risks were evaluated. The findings indicated that Apigenin possesses the most balanced pharmacokinetic profile, while Dibenzo-p-dioxin was found to be unsuitable for drug development due to its potential toxicity. Subsequently, molecular interactions of these flavonoids (Apigenin, Luteolin, Quercetin, and Dibenzo-p-dioxin) with proteins associated with breast cancer 1JNX (Estrogen Receptor α) and 6CZ2 (HER2 receptor) were investigated using molecular docking analysis. Accordingly, the aim of this study is to evaluate the pharmaceutical potential of the selected compounds using computational methods, compare their strengths and weaknesses, and identify which compounds are more suitable as clinical drug candidates.

Keywords

Apigenin Luteolin Quercetin Dibenzo-p-dioxin Molecular Docking ADME Breast Cancer

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There are 25 citations in total.

Details

Primary Language English
Subjects Molecular Imaging
Journal Section Research Article
Authors

Burcu Çöpcü 0000-0001-9372-1867

Early Pub Date June 23, 2025
Publication Date
Submission Date June 12, 2025
Acceptance Date June 20, 2025
Published in Issue Year 2025 Volume: 9 Issue: 5

Cite

APA Çöpcü, B. (2025). Pharmacokinetic and Molecular Docking Analysis of Matricaria chamomilla Flavonoids Against Breast Cancer Targets. Turkish Computational and Theoretical Chemistry, 9(5), 54-61.
AMA Çöpcü B. Pharmacokinetic and Molecular Docking Analysis of Matricaria chamomilla Flavonoids Against Breast Cancer Targets. Turkish Comp Theo Chem (TC&TC). June 2025;9(5):54-61.
Chicago Çöpcü, Burcu. “Pharmacokinetic and Molecular Docking Analysis of Matricaria Chamomilla Flavonoids Against Breast Cancer Targets”. Turkish Computational and Theoretical Chemistry 9, no. 5 (June 2025): 54-61.
EndNote Çöpcü B (June 1, 2025) Pharmacokinetic and Molecular Docking Analysis of Matricaria chamomilla Flavonoids Against Breast Cancer Targets. Turkish Computational and Theoretical Chemistry 9 5 54–61.
IEEE B. Çöpcü, “Pharmacokinetic and Molecular Docking Analysis of Matricaria chamomilla Flavonoids Against Breast Cancer Targets”, Turkish Comp Theo Chem (TC&TC), vol. 9, no. 5, pp. 54–61, 2025.
ISNAD Çöpcü, Burcu. “Pharmacokinetic and Molecular Docking Analysis of Matricaria Chamomilla Flavonoids Against Breast Cancer Targets”. Turkish Computational and Theoretical Chemistry 9/5 (June 2025), 54-61.
JAMA Çöpcü B. Pharmacokinetic and Molecular Docking Analysis of Matricaria chamomilla Flavonoids Against Breast Cancer Targets. Turkish Comp Theo Chem (TC&TC). 2025;9:54–61.
MLA Çöpcü, Burcu. “Pharmacokinetic and Molecular Docking Analysis of Matricaria Chamomilla Flavonoids Against Breast Cancer Targets”. Turkish Computational and Theoretical Chemistry, vol. 9, no. 5, 2025, pp. 54-61.
Vancouver Çöpcü B. Pharmacokinetic and Molecular Docking Analysis of Matricaria chamomilla Flavonoids Against Breast Cancer Targets. Turkish Comp Theo Chem (TC&TC). 2025;9(5):54-61.

Journal Full Title: Turkish Computational and Theoretical Chemistry


Journal Abbreviated Title: Turkish Comp Theo Chem (TC&TC)