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        <title>Experimental Biology and Medicine | Structural Biology section | New and Recent Articles</title>
        <link>https://www.ebm-journal.org/journals/experimental-biology-and-medicine/sections/structural-biology</link>
        <description>RSS Feed for Structural Biology section in the Experimental Biology and Medicine journal | New and Recent Articles</description>
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        <pubDate>2026-04-10T06:11:40.857+00:00</pubDate>
        <ttl>60</ttl>
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        <guid isPermaLink="true">https://www.ebm-journal.org/articles/10.3389/ebm.2026.10867</guid>
        <link>https://www.ebm-journal.org/articles/10.3389/ebm.2026.10867</link>
        <title><![CDATA[Metabolomics-guided identification of bioactive phytometabolites from South African plants targeting neuroblastoma]]></title>
        <pubdate>2026-03-05T00:00:00Z</pubdate>
        <category>Original Research</category>
        <author>Mmei Cheryl Motshudi</author><author>Clarissa Marcelle Naidoo</author><author>Chikwelu Lawrence Obi</author><author>Benson Chucks Iweriebor</author><author>Earl Prinsloo</author><author>Muhammad Sulaiman Zubair</author><author>Nqobile Monate Mkolo</author>
        <description><![CDATA[Neuroblastoma constitutes a solid tumor in pediatric populations, characterized by a dismal prognosis and a scarcity of effective therapeutic interventions. Medicinal flora from South Africa represents valuable sources of bioactive phytometabolites with potential relevance to neuroblastoma. This study employed an integrated workflow merging untargeted UPLC-MS/MS metabolomics, mitochondrial functional assays, and in silico absorption, distribution, metabolism, and excretion (ADME) prediction to systematically identify bioactive metabolites from Acorus calamus and Lippia javanica with activity against SH-SY5Y neuroblastoma cells. Cytotoxic effects were quantified utilizing the CCK-8 assay, while mitochondrial membrane potential (ΔΨm) was conducted through JC-1 flow cytometry. Untargeted UPLC-MS/MS profiling yielded metabolomic fingerprints, through PCA, PLS-DA, and OPLS-DA. ADME and drug-likeness were predicted using SWISSADME. Both plant extracts exhibited dose-dependent inhibition of SH-SY5Y cell viability, with IC50 values determined at 0.2886 μg/μL for A. calamus and 0.3066 μg/μL for L. javanica. The ΔΨm assessment indicated enhanced mitochondrial polarization (68.2% and 65.4% compared to 58.8% in untreated controls), implying modulation of mitochondrial functional status. Metabolomic profiling unveiled distinct phytochemical signatures, including flavonoids, phenolics, jasmonates, and alkaloids, exhibiting significant species-level differentiation (F = 936.71, R2 = 0.989, p = 0.005). Notable metabolites such as isopropyl β-glucoside, 6β-hydroxymethandienone, and 7-epi-12-hydroxyjasmonic acid demonstrated favorable ADME characteristics and permeability across the blood-brain barrier. This investigation elucidates that A. calamus and L. javanica possess potential efficacy against neuroblastoma, underscoring the translational potential of African medicinal flora in pediatric oncology and necessitating further preclinical exploration.]]></description>
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