Anticancer activity of phenolic leaves of Bidara (Ziziphus mauritiana) against breast cancer by in silico.

Breast cancer occurs when a number of cells in the breast grow and develop uncontrollably. The prevalence of breast cancer in Indonesia reaches 0.5 per 1000 women. Aromatase is a cytochrome p450 enzyme that catalyzes the formation of C18 estrogen from C19 androgens which selectively inhibits estrogen synthesis. Aromatase inhibitors are adjuvant therapies used by postmenopausal breast cancer patients with positive ER, letrozole. Letrozole has several adverse effects, so it is used bidara leaf (Ziziphus mauritiana) which has phenolic compounds as a strong anticancer activity. Pling abundant compounds used, namely p-hydroxybenzoic acid, caffeic, ferulic acid and p-coumaric acid. The purpose of this study was to predict the anticancer potential of the phenolic compound Bidara Leaf (Ziziphus mauritiana) in inhibiting the aromatase enzyme in breast cancer patients. The method in this study is the prediction of ADMET pharmacokinetic properties using the online pkCSM webserver. First download a copy of the SMILES compound test using the PubChem webserver. Molecular docking uses PyRx 0.8, PyMol, Discovery Studio software. From the results of the study it can be concluded that phenolic compounds are predicted to have good absorption, distribution, metabolism, excretion and toxicity values, and the combination of free energy values of phenolic compounds produces a synergistic effect. The bond between ferulic acid and the aromatase enzyme is the most stable compared to others. [ABSTRACT FROM AUTHOR]