Biology, Medicine, & Natural Product Chemistry
Vol 15, No 1 (2026)

LC-MS Analysis of Ethyl Acetate Fraction of Gandaria (Bouea macrophylla Griff.) Stem Bark and Molecular Docking Study against HER2 Protein

Primawati, Junia Salsha (Unknown)
Sriwijayanti, Sriwijayanti (Unknown)
Situmeang, Boima (Unknown)
Safuroh, Siti (Unknown)
Agustin, Yuke (Unknown)



Article Info

Publish Date
01 Apr 2026

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.

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Journal Info

Abbrev

BIOMEDICH

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Medicine & Pharmacology Public Health

Description

BIOLOGY, MEDICINE, & NATURAL PRODUCT CHEMISTRY, this journal is published to attract and disseminate innovative and expert findings in the fields of plant, animal, and microorganism secondary metabolite, and also the effect of natural product on biological system as a reference source for ...