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

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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 -; Ghifari Muhammmad Raffi; Hidayati Sari Gando; Purnamasari Devi; Muhardi -

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Journal Paper

Paper Information

Journal: JOURNAL OF MEDICINAL AND PHARMACEUTICAL CHEMISTRY RESEARCH Year:2023 | Volume:5 | Issue:12 Page(s): 1097-1108

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Title

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

Author(s)

Keywords

diagnostic biomarker

ellagic acid

Pomegranate plant (Punica granatum)

Receptor protein-tyrosine kinase ERBB-2

breast cancer

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.

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