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.
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