Bioinformatic Study of the Active Compound of Morusin in Mulberry (Morus alba) against Breast Cancer

Morusin, an active constituent of the mulberry plant (Morus alba), exhibits inhibitory effects on several types cancer cells in vitro, including breast cancer. This study aimed to identify potential target proteins morusin, investigate binding energy, and explore type interactions between morusin protein. Morusin was searched using PubMed, STITCH, STRING, Cytoscape databases. Subsequently, obtained protein data underwent processing Autodock Tools DS BIOVIA facilate simulation molecular docking The identified EGFR, SRC, MAPK1 as targets for morusin. Docking simulations revealed that both EGFR SRC represent viable their energies were lower than those native ligand lapatinib. Specifically, bond at -9.6, -7.5, -9.2 kcal/mol ligand, lapatinib, respectively. Similarly, corresponding -8.2, -6.4, -5.3 kcal/mol. demonstrated with Leu694, Val702, Leu820, Ala719, Leu768, Lys721 site Lys295 Gly344 sites SRC. Consequently, has suppress cell growth by targeting SRC.Keywords: cells, targets, docking, plant.