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<p><i>Grewia ferruginea</i> is a medicinal plant used in Ethiopia to treat various ailments. Given its traditional uses and the absence of reports on its phytochemical constituents, this study was designed to isolate compounds from the stem bark of <i>G. ferruginea</i> and evaluate their in vitro biological activities. The essential oil was extracted using hydrodistillation and analyzed by GC–MS to identify 32 compounds. Whereas, lupeol (<b>33</b>), <i>β</i>-sitosterol (<b>34</b>), stigmasterol (<b>35</b>), daucosterol (<b>36</b>), and ( +)-catechin (<b>37</b>) were extracted using maceration, isolated by chromatographic techniques, and characterized using NMR spectral data. At 5&#xa0;mg/mL, compound <b>33</b> exhibited a greater inhibition zone (IZ) of 15.2&#xa0;mm against <i>Pseudomonas aeruginosa</i>. Compound <b>34</b> demonstrated better activity against <i>Streptococcus pyogenes</i> with an IZ of 15.07&#xa0;mm. Compounds <b>36</b> and <b>37</b> showed higher activity against <i>Escherichia coli</i> with IZ of 12.50 and 12.33&#xa0;mm, respectively. However, the essential oil exhibited better activity against <i>Staphylococcus aureus</i> with an IZ of 13.4&#xa0;mm. The results of in silico molecular docking studies supported the results of in vitro antibacterial activity evaluations. At 62.5&#xa0;µg/mL, compound <b>37</b> inhibited the highest (90.2%) 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical, while compound <b>34</b> inhibited the least (18.5%) with IC<sub>50</sub> values of 2.0 and 67.1&#xa0;µg/mL, respectively. The essential oil inhibited only 28.6% of the DPPH radical. Predictions made using SwissADME and Pro Tox 3.0 online tools indicated that all isolated compounds obey Lipinski’s rule and are not fatal if swallowed. Therefore, these compounds provide evidence for the plant's traditional uses in treating bacterial diseases.</p>

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In vitro antibacterial activities, DPPH radical scavenging, and molecular simulation of isolated compounds from the stem bark of Grewia ferruginea

  • 期刊论文

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  • 发表日期：

    2025年3月3日

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  • Tolessa Duguma,
  • Yadessa Melaku,
  • Daniel Rentsch,
  • Urgessa Ensermu,
  • Aman Dekebo,
  • Hunduma Dinka,
  • Lemi Guta,
  • Milkyas Endale

摘要

Grewia ferruginea is a medicinal plant used in Ethiopia to treat various ailments. Given its traditional uses and the absence of reports on its phytochemical constituents, this study was designed to isolate compounds from the stem bark of G. ferruginea and evaluate their in vitro biological activities. The essential oil was extracted using hydrodistillation and analyzed by GC–MS to identify 32 compounds. Whereas, lupeol (33), β-sitosterol (34), stigmasterol (35), daucosterol (36), and ( +)-catechin (37) were extracted using maceration, isolated by chromatographic techniques, and characterized using NMR spectral data. At 5 mg/mL, compound 33 exhibited a greater inhibition zone (IZ) of 15.2 mm against Pseudomonas aeruginosa. Compound 34 demonstrated better activity against Streptococcus pyogenes with an IZ of 15.07 mm. Compounds 36 and 37 showed higher activity against Escherichia coli with IZ of 12.50 and 12.33 mm, respectively. However, the essential oil exhibited better activity against Staphylococcus aureus with an IZ of 13.4 mm. The results of in silico molecular docking studies supported the results of in vitro antibacterial activity evaluations. At 62.5 µg/mL, compound 37 inhibited the highest (90.2%) 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical, while compound 34 inhibited the least (18.5%) with IC50 values of 2.0 and 67.1 µg/mL, respectively. The essential oil inhibited only 28.6% of the DPPH radical. Predictions made using SwissADME and Pro Tox 3.0 online tools indicated that all isolated compounds obey Lipinski’s rule and are not fatal if swallowed. Therefore, these compounds provide evidence for the plant's traditional uses in treating bacterial diseases.