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Chemical composition, antioxidant and antimicrobial activities, and molecular docking of Acacia gerrardii leaf extract
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  • Published: 24 February 2026

Chemical composition, antioxidant and antimicrobial activities, and molecular docking of Acacia gerrardii leaf extract

  • Salem Elkahoui1,
  • Ahmed Eisa Mahmoud Ghoniem1,2,
  • Mejdi Snoussi1,
  • Zouhaier Barhoumi3 &
  • …
  • Riadh Badraoui1 

Scientific Reports , Article number:  (2026) Cite this article

We are providing an unedited version of this manuscript to give early access to its findings. Before final publication, the manuscript will undergo further editing. Please note there may be errors present which affect the content, and all legal disclaimers apply.

Subjects

  • Biochemistry
  • Chemistry
  • Computational biology and bioinformatics
  • Drug discovery
  • Microbiology
  • Plant sciences

Abstract

This study aims to investigate the chemical composition, mineral content, antimicrobial and antioxidant activities, and pharmacokinetic properties of the methanolic extract of Acacia gerrardii leaves. Mineral analysis using ICP-AES revealed iron as the predominant element (6.67 mg/g), followed by aluminum (4.70 mg/g) and trace elements such as zinc (13.18 µg/g), silver (11.24 µg/g) and selenium (134.073 µg/g). Chemical profiling demonstrated the extract’s richness in phenolic compounds (316.61 mg GAE/g) and flavonoids (11.17 ± 1.76 mg QE/g extract). LC–MS analysis identified major flavonoid constituents, while GC–MS revealed key components such as 4-O-methylmannose (73.83%) and linolenic acid (2.91%). The antimicrobial assays revealed concentration-dependent activity, with the highest inhibition zones (15.33 ± 0.57 mm) observed against Klebsiella pneumoniae at 3 mg/disc. The extract exhibited bacteriostatic effects against most bacterial strains and fungicidal properties against Candida species. Antioxidant evaluation showed significant activity, with IC₅₀ values of 0.28 mg/mL (DPPH) and 63.63 mg/mL (FRAP). Computational analyses affirmed the druglikeness of the phytochemicals, with most adhering to Lipinski’s rule and exhibiting favorable bioavailability and pharmacokinetic profiles. Molecular docking highlighted strong binding affinities (− 10.4 kcal/mol) of specific compounds to microbial protein targets, suggesting their potential as antimicrobial agents. These findings underscore the pharmacological promise of A. gerrardii, particularly its antioxidant and antimicrobial properties linked to its phytochemical composition. Future research should explore the bioactivities of individual compounds in vivo and assess their therapeutic applications. This study enriches the understanding of A. gerrardii and highlights its potential as a resource for novel bioactive agents.

Data availability

Data will be made available upon request from the Corresponding Author.

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Acknowledgements

This research has been funded by Deputy for Research & Innovation, Ministry of Education through Initiative of Institutional Funding at University of Ha’il—Saudi Arabia through project number IFP 22-051”.

Funding

This research has been funded by Deputy for Research & Innovation, Ministry of Education through Initiative of Institutional Funding at University of Ha’il—Saudi Arabia through project number IFP 22–051”. The funders provided financial support for the study but had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.

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Authors and Affiliations

  1. Department of Biology, College of Science, University of Ha’il, P.O. Box 2440, Ha’il, Saudi Arabia

    Salem Elkahoui, Ahmed Eisa Mahmoud Ghoniem, Mejdi Snoussi & Riadh Badraoui

  2. Department of Botany, Faculty of Agriculture, Cairo University, Giza, Egypt

    Ahmed Eisa Mahmoud Ghoniem

  3. Biology Department, King Khalid University, P. O. Box-9004, 61413, Abha, Saudi Arabia

    Zouhaier Barhoumi

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Salem ELKAHOUI : Conceptualization, Methodology, Data curation, Writing—original draft. Ahmed Eisa Mahmoud Ghoniem : Methodology, Resources. Mejdi Snoussi : Supervision, Methodology, Writing—review & editing. Zouhaier Barhoumi : Resources, Data analysis (GC and LC/MS). Riadh Badraoui : Software, “ in silico ” analysis, Writing—review & editing.

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Correspondence to Salem Elkahoui or Mejdi Snoussi.

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Elkahoui, S., Eisa Mahmoud Ghoniem, A., Snoussi, M. et al. Chemical composition, antioxidant and antimicrobial activities, and molecular docking of Acacia gerrardii leaf extract. Sci Rep (2026). https://doi.org/10.1038/s41598-026-38590-9

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  • Received: 03 September 2025

  • Accepted: 30 January 2026

  • Published: 24 February 2026

  • DOI: https://doi.org/10.1038/s41598-026-38590-9

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Keywords

  • Acacia gerrardii
  • Phytochemical analysis
  • Antioxidant activity
  • Antimicrobial activities
  • Computational approach
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