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All Journal JSMARTech : Journal of Smart Bioprospecting and Technology
Melani, Maya Dwie
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Biochemistry, Genetics & Molecular Biology Chemistry Materials Science & Nanotechnology Medicine & Pharmacology Neuroscience

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Profile of Secondary Metabolites of White Pomegranate Peel (Punica granatum L.) and their Potential as Candidates for Breast Cancer Treatment Through In Silico Analysis Jamilah, Zahrotul; Ma'rifah, Shofia Jannatul; Azizah, Nur; Melani, Maya Dwie; Maireza, Fania Ega; Ramadhan, Majida; Jayanti, Gatra Ervi
JSMARTech: Journal of Smart Bioprospecting and Technology Vol. 7 No. 2 (2026): JSMARTech Volume 7, No 2, 2026
Publisher : JSMARTech

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.jsmartech.2026.007.01.35

Abstract

Treatment of breast cancer that targets Estrogen Receptor Alpha (ER-α) receptors as a therapeutic target is very important, considering that 70% of breast cancer patients are diagnosed ER-α positive. White pomegranate peel (Punica granatum L.) contains Delphinidin, Luteolin, and Pelargonidin compounds which are flavonoid-derived compounds. This study aims to evaluate and predict secondary metabolite compounds in white pomegranate peel extract (Punica granatum L.) that function as breast anticancer in silico. The methods used included a secondary metabolite profile test with phytochemical screening and in silico analysis, comprising the evaluation of physicochemical properties and toxicity, networking analysis, and analysis and visualization of molecular docking results. Based on the phytochemical screening results, white pomegranate peel (Punica granatum L.) was found to contain alkaloid, flavonoid, tannin, and terpenoid compounds, while saponin compounds were not detected. The results of Lipinski Rule of Five, ADMET, Binding Affinity and Molecular Docking analysis of Luteolin and Pelargonidin compounds are known to be potential compounds as ESR1 inhibitors associated with Estrogen Receptor Alpha (ER-α) as a cause of breast cancer. Both compounds are better than the native ligand compound 4-D.
Co-Authors Gatra Ervi Jayanti Jamilah, Zahrotul Ma'rifah, Shofia Jannatul Maireza, Fania Ega Nur Azizah Ramadhan, Majida