Syamsurizal, Rahadian Zainul, Dheo Shalsabilla Novel, Rismi Verawati, Amalia Putri Lubis, Riso Sari Mandeli, Maurice Efroza, Muhammad Arya Ghifari, Putri Azhari, Muhammad Thoriq Albari, Rollando, Muhammmad Raffi Ghifari, Sari Gando Hidayati, Devi Purnamasari, Muhardi
This research aims to develop an effective diagnostic biomarker to identify breast cancer using ellagic acid compound found in pomegranate (Punica granatum) as a specific target. The research method was conducted using Pymol, Pyrex, Protein Plus, and Lepinski Rule software for structural analysis and molecular interactions. The results showed that ellagic acid has a strong binding affinity for the protein-tyrosine kinase receptor ERBB-2, with binding affinity values of-6.7,-6.6, and-6.5 and RMSD of 0, 0.147, and 1.301. In addition, analysis using Protein Plus revealed an interaction between ellagic acid and the protein-tyrosine kinase receptor ERBB-2. Lipinski analysis showed that ellagic acid has a mass of 302, a hydrogen bond donor number of 4, a hydrogen bond acceptor number of 8, a log P of 1.241, and a molar reactivity of 68.454. This discovery has the potential to be an effective diagnostic biomarker in identifying breast cancer, which could help in the early diagnosis and treatment of this disease. © 2023, Sami Publishing Company. All rights reserved.
Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Indonesia; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, West Sumatra, Padang, Indonesia; Department of Metallurgy and Materials Engineering, Faculty of Engineering, University of Indonesia, West Java, Depok, Indonesia; Department of Information Technology, Faculty of Computer Sciences, Universitas Brawijaya, East Java, Malang, Indonesia; Department of Agricultural Technology, Faculty of Agricultural Technology, Universitas Andalas, Padang, Indonesia; Pharmacy Program, Faculty of Health Sciences, Universitas Ma Chung, Malang, Indonesia; Faculty of Agriculture, Universitas Taman Siswa, Padang, Indonesia; Department of Radiology, Faculty Health, Universitas Awal Bros, Indonesia; Department of Informatics Engineering, Faculty of Computer Sciences, Universitas Hang Tuah Pekanbaru, Indonesia
