Diagnostic biomarker of ellagic acid compound from pomegranate plant (punica granatum) on receptor protein-tyrosine kinase ERBB-2 in identifying breast cancer

Syamsurizal, Syamsurizal; Zainul, Rahadian; Novel, Dheo Shalsabilla; Verawati, Rismi; Lubis, Amalia Putri; Mandeli, Riso Sari; Efroza, Maurice; Ghifari, Muhammad Arya; Azhari, Putri; Albari, Muhammad Thoriq; Rollando, Rollando; Ghifari, Muhammmad Raffi; Hidayati, Sari Gando; Purnamasari, Devi; Muhardi, Muhardi

doi:10.48309/jmpcr.2023.417770.1009

Document Type : Original Research Article

Authors

¹ Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Indonesia

² Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, West Sumatra, Indonesia

³ Department of Metallurgy and Materials Engineering, Faculty of Engineering, University of Indonesia, Depok, West Java, Indonesia

⁴ Department of Information Technology, Faculty of Computer Sciences, Universitas Brawijaya, Malang, East Java, Indonesia

⁵ Department of Agricultural Technology, Faculty of Agricultural Technology, Universitas Andalas, Padang, Indonesia

⁶ Pharmacy Program, Faculty of Health Sciences, Universitas Ma Chung, Malang, Indonesia

⁷ Faculty of Agriculture, Universitas Taman Siswa, Padang, Indonesia

⁸ Department of Radiology, Faculty Health, Universitas Awal Bros, Indonesia

⁹ Department of Informatics Engineering, Faculty of Computer Sciences, Universitas Hang Tuah Pekanbaru, Indonesia

https://doi.org/10.48309/jmpcr.2023.417770.1009

Abstract

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.

Graphical Abstract

Keywords

Main Subjects

Bio-molecular chemistry

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Journal of Medicinal and Pharmaceutical Chemistry Research

Diagnostic biomarker of ellagic acid compound from pomegranate plant (punica granatum) on receptor protein-tyrosine kinase ERBB-2 in identifying breast cancer

References

References

Volume 5, Issue 12
December 2023
Pages 1097-1108

Diagnostic biomarker of ellagic acid compound from pomegranate plant (punica granatum) on receptor protein-tyrosine kinase ERBB-2 in identifying breast cancer

References

References

Volume 5, Issue 12December 2023Pages 1097-1108

Volume 5, Issue 12
December 2023
Pages 1097-1108