Muhammad Hermawan Widyananda, Lailil Muflikhah, Siti Mariyah Ulfa, Nashi Widodo
This research explored the active compounds in Boesenbergia rotunda and predicted its anti-breast cancer mechanism. The Boesenbergia rotunda rhizome was extracted using microwave-assisted extraction (MAE) with ethanol solvent, and the active compound was identified using liquid chromatography–high-resolution mass spectrometry (LC-HRMS). Drug-likeness, bioactivity, and membrane permeability were used to select active compounds with high potential for anti-breast cancer effects. Molecular docking and dynamic simulations were performed to study the interactions between active compounds and target proteins. The ethanol extract contained various active compounds, predominantly flavonoids, with pinostrobin being the most abundant (24.061%). Six compounds (chrysin, pinostrobin, pinocembrin, formononetin, desmethoxyyangonin, and zearalenone) showed the highest potential as anti-breast cancer agents, targeting proliferation-related and angiogenesis-associated proteins (CDK1, JAK3, ADORA1, PI3K, MMP13, VEGFR1). These findings suggest that Boesenbergia rotunda ethanol extract has promising anti-breast cancer capabilities by inhibiting proliferation, angiogenesis, and tumour invasion. © 2025 Informa UK Limited, trading as Taylor & Francis Group.
Biosystem Study Center, Universitas Brawijaya, Malang, Indonesia; Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, Malang, Indonesia; Department of Informatics Engineering, Faculty of Computer Science, Universitas Brawijaya, Malang, Indonesia; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, Malang, Indonesia
