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<p>The growing resistance of <i>Plamodium falciparium</i> to existing drugs is alarming and requires urgent attention. Alternative potential antimalarial plants could be a solution. <i>Triplochiton scleroxcylon</i> root has a folkloric history as an antimalaria remedy in some parts of Nigeria<i>.</i> This study was designed to screen the phytochemicals present in the extracts of <i>T. scleroxcylon</i> and also establish the metabolite profile by GCMS for the first time using solvents of increasing polarity based on standard reference methods. Subsequently, in silico molecular docking of the identified metabolites in the most active extract was performed as antimalarial inhibitors by targeting the P.&#xa0;<i>falciparum</i> dihydroorotate dehydrogenase (pfDHODH) receptor. The phytochemical screening revealed the presence of alkaloids, terpenes, flavonoids, steroids, and saponins in the various extracts. The GCMS further indicated the presence of some fatty acids such as oleic acid, methyl stearate, 9-eicosene (E), and linoelaidic acid in the different extracts. However, the ethanol root extract inhibited the schizont maturation the most. It hence demonstrated the highest anti-plasmodia activity with an IC50 value of 2.56 ± 0.97 μg/ml even better than the chloroquine phosphate (2.85 ± 0.16 µg/ml) and Quinine (8.01 ± 1.29 µg/ml) standards used. While the in silico docking screening of the identified metabolites in the ethanol root extract with the pfDHODH receptor revealed Pentadecafluorooctanoic acid, octadecyl ester with the highest binding affinity of -9.0 kcal/mol, which could serve as a viable anti-malarial compound. The result of this study validates the folkloric use of the plant root as an antimalarial agent, and we believe further study may lead to a novel antimalarial drug.</p> Graphical abstract <p></p>

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Metabolite Profile, In-Vitro Anti Plasmodia Activity and In-Silico Molecular Docking Study of Root Extracts of Triplochiton scleroxcylon: An Underexplored African Plant

  • 期刊论文

  • 发表日期：

    2025年1月20日

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  • Yahaya Yakubu,
  • Gabi Baba,
  • Lateefa Mustafa Sulaiman,
  • Zakariyya Jibril,
  • Radiatu Jibril,
  • Firdausi Bello,
  • Mustapha Abdullahi,
  • Auwal Ibrahim,
  • Hauwa Mohammed Mustafa

摘要

The growing resistance of Plamodium falciparium to existing drugs is alarming and requires urgent attention. Alternative potential antimalarial plants could be a solution. Triplochiton scleroxcylon root has a folkloric history as an antimalaria remedy in some parts of Nigeria. This study was designed to screen the phytochemicals present in the extracts of T. scleroxcylon and also establish the metabolite profile by GCMS for the first time using solvents of increasing polarity based on standard reference methods. Subsequently, in silico molecular docking of the identified metabolites in the most active extract was performed as antimalarial inhibitors by targeting the P. falciparum dihydroorotate dehydrogenase (pfDHODH) receptor. The phytochemical screening revealed the presence of alkaloids, terpenes, flavonoids, steroids, and saponins in the various extracts. The GCMS further indicated the presence of some fatty acids such as oleic acid, methyl stearate, 9-eicosene (E), and linoelaidic acid in the different extracts. However, the ethanol root extract inhibited the schizont maturation the most. It hence demonstrated the highest anti-plasmodia activity with an IC50 value of 2.56 ± 0.97 μg/ml even better than the chloroquine phosphate (2.85 ± 0.16 µg/ml) and Quinine (8.01 ± 1.29 µg/ml) standards used. While the in silico docking screening of the identified metabolites in the ethanol root extract with the pfDHODH receptor revealed Pentadecafluorooctanoic acid, octadecyl ester with the highest binding affinity of -9.0 kcal/mol, which could serve as a viable anti-malarial compound. The result of this study validates the folkloric use of the plant root as an antimalarial agent, and we believe further study may lead to a novel antimalarial drug.

Graphical abstract