Nisa Yulianti Suprahman, Riri Fauziyya, Winni Nur Auli, Sarmoko, Arif Ashari, Miralda Zahra, Esteria Christina Pane, Sukrasno
Breast cancer has the largest prevalence and third mortality rate among all cancer cases in the world. Drug resistance has been a major problem, urging the need for drug discovery. Various studies have shown several active substances from natural ingredients that can inhibit the invasion and migration of cancer cells, including Zerumbone contained in Lempuyang (Zingiber zerumbet). However, no study has been made to explore the molecular targets of Zerumbone in breast cancer. The purpose of this study is to find potential molecular targets of Zerumbone in silico. Bioinformatic analysis was conducted with STITCH and STRING to get direct and indirect target proteins of Zerumbone, respectively. The resulting target proteins were selected according to the NCBI database of breast cancer stem cell regulatory genes using a Venn Diagram. Eighty-three Zerumbone target proteins in breast cancer cells were obtained. Then, their degree in biological interaction was assessed and ranked with STRING and Cytohubba. Six molecules from the top 20 targets (AKT1, XIAP-BIR2, XIAP BIR-3, HSP90AA1, MDM2, and EP300) were then used as targets for molecular docking of Zerumbone, performed with Autodock 1.5.6. Molecular docking revealed that Zerumbone binds all tested targets with low binding energy, indicating that Zerumbone can have multi-targets in combating cancer. © 2023 American Institute of Physics Inc.. All rights reserved.
Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung, Lampung, 35365, Indonesia; Department of Chemistry, Faculty of Science, Institut Teknologi Sumatera, South Lampung, Lampung, 35365, Indonesia