Afif Hariawan Pratama, Muhammad Salman Fareza, Nur Amalia Choironi, Sarmoko
Morus alba extract was reported in vitro to have anticancer activity on several cancer cells, including breast cancer cells. However, few studies have examined the mechanisms by which morin can inhibit the growth of breast cancer cells. This study aims to identify potential morin targets and investigate the interactions between morin and its protein targets. Data were searched from PubMed, STITCH, STRING, and PDB. Genes involved in breast cancer were compared to the data from STITCH and STRING. The top 10 hub genes’ interactions were observed using Cytoscape and STRING. Molecular docking was employed to examine the interaction between morin and protein targets. Bioinformatic analysis showed that potential protein targets were AKT1, MAPK1, and MAPK3. Docking simulation showed that MAPK3 potentially be a morin target because it has lower bond energy than the native ligand and neratinib, with bond energy -9; -8.3; and -2.8 kcal/mol, respectively. Morin binds to the amino acid residues Ser170, Asn171, and Cys183 on the active site of MAPK3. Morin has the potential to inhibit cancer cell growth by targeting MAPK3. © 2023 American Institute of Physics Inc.. All rights reserved.
Department of Pharmacy, Faculty of Health Sciences, Universitas Jenderal Soedirman, Jl. Profesor Dr. HR Boenyamin No.708, Central Java, Purwokerto, 53122, Indonesia; Department of Pharmacy, Sumatera Institute of Technology, Jl. Terusan Ryacudu, Way Huwi, South Lampung, Lampung, 35365, Indonesia