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All Journal Biology, Medicine, & Natural Product Chemistry
Yuke Agustin
Staf Pengajar Fakultas Teknologi Industri, Jurusan Teknik Industri, Universitas Katholik Parahyangan, Bandung
Biochemistry, Genetics & Molecular Biology Medicine & Pharmacology Public Health

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LC-MS Analysis of Ethyl Acetate Fraction of Gandaria (Bouea macrophylla Griff.) Stem Bark and Molecular Docking Study against HER2 Protein Primawati, Junia Salsha; Sriwijayanti, Sriwijayanti; Situmeang, Boima; Safuroh, Siti; Agustin, Yuke
Biology, Medicine, & Natural Product Chemistry Vol 15, No 1 (2026)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2026.151.91-95

Abstract

Breast cancer is a disease that has long been a source of concern for the public due to its high mortality rate. Excessive exposure to free radicals has been identified as a potential carcinogen, thus necessitating the utilization of antioxidants to counteract the damaging effects of these molecules. Gandaria (Bouea macrophylla Griff.) is a plant that is commonly found in Java, Sumatra, Maluku, and Kalimantan. B. macrophylla is known to have strong antioxidant activity, which is correlated with anticancer activity. A part of B. macrophylla that has not been extensively researched is its stem bark. The objective of this study was to analyze the potential of the ethyl acetate fraction of B. macrophylla stem bark as an anticancer agent using in silico method. The ethyl acetate fraction of B. macrophylla stem bark was characterized by LC-MS, which revealed four major compounds: 4-hydroxy-3-(3-oxo-1-phenylbutyl)-chromen-2-one, 1-(2,5-dihydroxyphenyl)-propan-1-one, 3-ethoxy-4-hydroxybenzaldehyde, and 2-nitrobenzoic acid. Molecular docking was performed between the compounds against the HER2 protein with PDB ID 3RCD. The four compounds demonstrated binding energy values of -8.29 kcal/mol, -5.04 kcal/mol, -4.66 kcal/mol, and -4.28 kcal/mol, respectively.
Co-Authors Hari Adianto I.G.A. Happy Trindira Primawati, Junia Salsha Safuroh, Siti Situmeang, Boima Sriwijayanti, Sriwijayanti