Kiwi Flavonoids: A Promising Frontier in Breast Cancer Treatment

Abstract

Breast Cancer is a serious health risk that needs to be treated with the right treatments as soon as possible. The study focuses on selecting and analyzing breast cancer target proteins and their interactions with specific ligands, with an emphasis on the anticancer properties of kiwi flavonoids. To identify the breast cancer target proteins, including ABCG2, AKT, CREB1, EGFR, and PI3K, the KEGG Database was utilized. The KEGG Database is a tool for identifying diseases, genes, cellular pathways, and other related entities. Protein structures were retrieved using a resource that can predict protein structures in 3D design, known as AlphaFold. The ligands’ binding to the protein structures were retrieved using PubChem, a chemical information library. Ligand preparation involves energy minimization using ChemDraw, which optimizes molecular configurations for enhanced stability. Pharmacophore analysis using Molinspiration and AdmetSAR was employed to identify molecules targeting specific receptors and modulating macromolecular activity, as well as to assess ADME/T properties. Molecular docking was done using CB Dock, a protein-ligand docking website, to predict binding interactions between proteins and ligands. Molecular interaction analysis was conducted using Ligplot, a software program that creates 2D diagrams to visualize intermolecular interactions between proteins and ligands. By performing all of these steps, it was found that kiwi flavonoids, especially the selected ligands, showed anticancer properties. These effects were demonstrated by inhibiting the growth of cancer cells, which ultimately led to cell death. Overall, the findings suggest that kiwi flavonoids can act as therapeutic agents for breast cancer treatment.