Abstract
Polypogon monspeliensis (L.) Desf. is an annual monocot weed belonging to Poaceae family, with reported folkloric medicinal uses. In this work, the hepatoprotective potentials of the aerial parts methanolic extract were assessed by in vitro CCl4 anti-hepatotoxicity on human liver-derived HepG2 cell line. In silico molecular docking studies of the UHPLC/QTOF-MS/MS investigated compounds explored to ensure the in vitro hepatoprotective potentials. In vitro hepatoprotective examination exhibited comparable effect of P. monspeliensis and positive control, silymarin. Annotation of the secondary metabolites was performed by UHPLC/QTOF-MS/MS, which allowed the tentative identification of 35 metabolites based on their exact mass information, fragmentation characteristics, and retention time values. Formononetin and linarin were the major identified components. Notably, linarin displayed a significant binding score of -6.74 kcal/mol, surpassing the binding scores of the co-crystallized ligand 703 (-6.05 kcal/mol) and the reference silybin A (-5.89 kcal/mol) assuring its prominent in vitro hepatoprotective activities. Additionally, the established absorption, distribution, metabolism, and excretion properties unveiled the hepatoprotective properties of both formononetin and linarin. The results assured that P. monspeliensis is a promising hepatoprotective agent, with special consideration for formononetin and linarin.
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All data are available from the corresponding author upon reasonable request.
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Conceptualization: AH and HA. Methodology: MH, MA, RE, and AI. Software: HA and TK. Validation: MH, MA, and RE. Formal analysis: MH, TK, and AI. Investigation: AA, YA, and TK. Resources: MH and AA. Data curation: MH, AAE, AI, and AH. Writing original draft: HA, MH, AAE, and RE. Writing, review, and editing: TK, MA, YA, AAE, SE, and AI. Supervision: HA and AA. Project administration: AH, HA, and AA-H. Funding acquisition: AA-H. All authors have read and agreed to the published version of the manuscript.
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Abbass, H.S., Hegazy, M.M., kedra, T.A. et al. Polypogon monspeliensis Hepatoprotective Attributes: UHPLC/QTOF-MS/MS Metabolite Profiling and In Vitro and In Silico Studies. Rev. Bras. Farmacogn. (2024). https://doi.org/10.1007/s43450-024-00554-3
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DOI: https://doi.org/10.1007/s43450-024-00554-3