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<p><i>Xylopia aethiopica</i> (African pepper) is an intriguing medicinal plant which grows abundantly in West Africa and demonstrates a variety of pharmacological properties. This study assesses the cytotoxic activity of hexane, ethyl acetate and methanol extracts of the fruits and root of the plant against HCC-70, MCF-7, and MCF12A cell lines. The ethyl acetate fraction of the root had the strongest cytotoxic activity against HCC-70, a highly aggressive Triple-Negative Breast Cancer (TNBC) cell line, with an IC<sub>50</sub> of 19.96&#xa0;µg/mL. The hexane extract of the fruit had an IC<sub>50</sub> value of 30.39&#xa0;µg/mL against MCF-7. The cytotoxic effects observed could be attributed to a wide spectrum of phytochemicals in the extracts. Using the fingerprint pattern from the <sup>13</sup>C-NMR of the extracts, seven compounds belonging to two classes (i.e., kaurene and trachylobane-type diterpenoids and aporphine-type alkaloids) were annotated from the extracts. Furthermore, these compounds were assessed in silico on several important tumour cell-associated proteins. Two compounds showcased excellent binding interactions across all the proteins investigated and displayed a favourable ADMET profile. N-methylnordomesticine and N-methyllaurotetanine are excellent leads for further medicinal chemistry development.</p>

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Antiproliferative activity of Xylopia aethiopica extracts and molecular docking studies of their main phytochemicals

  • 期刊论文

  • 发表日期：

    2026年4月28日

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  • T. T. Alawode,
  • E. O. Odokwo,
  • M. Leoma,
  • O. O. Oderinlo,
  • G. R. Nyemba,
  • C. Davison,
  • M. P. Ngoepe,
  • J. A. de la Mare,
  • T. Tshiwawa

摘要

Xylopia aethiopica (African pepper) is an intriguing medicinal plant which grows abundantly in West Africa and demonstrates a variety of pharmacological properties. This study assesses the cytotoxic activity of hexane, ethyl acetate and methanol extracts of the fruits and root of the plant against HCC-70, MCF-7, and MCF12A cell lines. The ethyl acetate fraction of the root had the strongest cytotoxic activity against HCC-70, a highly aggressive Triple-Negative Breast Cancer (TNBC) cell line, with an IC50 of 19.96 µg/mL. The hexane extract of the fruit had an IC50 value of 30.39 µg/mL against MCF-7. The cytotoxic effects observed could be attributed to a wide spectrum of phytochemicals in the extracts. Using the fingerprint pattern from the 13C-NMR of the extracts, seven compounds belonging to two classes (i.e., kaurene and trachylobane-type diterpenoids and aporphine-type alkaloids) were annotated from the extracts. Furthermore, these compounds were assessed in silico on several important tumour cell-associated proteins. Two compounds showcased excellent binding interactions across all the proteins investigated and displayed a favourable ADMET profile. N-methylnordomesticine and N-methyllaurotetanine are excellent leads for further medicinal chemistry development.