Nur Balqis Maulydia, Khairan Khairan, Trina Ekawati Tallei, Rinaldi Idroes
Blumea balsamifera is a medicinal plant with recognized anti-inflammatory properties. This study employed both LC-HRMS and GC-MS to comprehensively profile its ethanolic extract. Distinct analytical objectives were pursued: LC-HRMS was used for untargeted metabolomic profiling, identifying 134 bioactive compounds, including fatty acyls and flavonoids. GC-MS, in contrast, focused on detecting volatile constituents, which resulted in the identification of proximadiol, a major sesquiterpenoid. Proximadiol was detected in B. balsamifera from the Ie-Jue geothermal area and confirmed by both analytical techniques. In silico analysis highlighted cytokine-mediated signaling and the JAK-STAT pathway as pivotal mechanisms, with proximadiol demonstrating strong binding interactions with interleukin-related targets. Molecular docking results were further supported by protein stability analyses, reinforcing its potential role in modulating inflammatory processes. Protein denaturation and inhibition assays confirmed significant anti-inflammatory activity of the extract, comparable to aspirin, with IC50 values of 103.85 ppm for the denaturation assay and 97.23 ppm for the inhibition assay, respectively. The combination of computational predictions, protein stability data, and in vitro anti-inflammatory assays provides strong evidence for the bioactivity of B. balsamifera, supporting the need for further pharmacological and clinical evaluation. Copyright Maulydia NB et al. This is an open access article distributed under the terms of the Creative Commons Attribution License (CC-BY 4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
Graduate School of Mathematics and Applied Sciences, Universitas Syiah Kuala, Banda Aceh, 23111, Indonesia; Department of Pharmacy, Faculty of Mathematics and Natural Sciences, Universitas Syiah Kuala, Banda Aceh, 23111, Indonesia; School of Mathematics and Applied Sciences, Universitas Syiah Kuala, Banda Aceh, 23111, Indonesia; Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Sam Ratulangi, Manado, Indonesia
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