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<p><i>Eurycoma longifolia</i> (tongkat ali) is a widely recognized medicinal plant in Southeast Asia, valued for its bioactive alkaloids and quassinoids. Building on previous findings that light-emitting diode (LED) modulation enhances the antiproliferative activity of <i>E. longifolia</i> hairy root cultures (ELHRCs) crude extracts, this study aimed to isolate the specific active constituents, characterize their subtype-specific efficacy, and perform in silico analysis to evaluate potential interaction with proteases against <i>Blastocystis</i> ST3 and ST7. Through chromatographic purification and spectroscopic analysis (NMR, FT-IR, and GC-MS), two compounds canthin-6-one (1) and 9-methoxycanthin-6-one (2) were isolated from ELHRCs grown under various LED spectra for 10 weeks. Quantitative analysis revealed that compound 1 was specifically isolated from Red LED treatments. In contrast, compound 2 was successfully isolated across all treatments, with the highest yield (1.00%) obtained under Mint Green LED illumination. In vitro assays demonstrated that both compounds exhibited dose-dependent inhibitory activity. Using nonlinear sigmoidal dose-response modelling, the values for compound 2 were determined to be 0.0427&#xa0;mg/mL (ST3) and 0.0433&#xa0;mg/mL (ST7), while compound 1 exhibited values of 0.0482&#xa0;mg/mL (ST3) and 0.0603&#xa0;mg/mL (ST7). Molecular docking studies targeting a cysteine protease surrogate revealed binding affinities of − 6.9&#xa0;kcal/mol and − 7.3&#xa0;kcal/mol for compounds <b>1</b> and <b>2</b>, respectively. Although the standard drug metronidazole exhibited higher potency in vitro, these results indicate that LED-stimulated ELHRCs are a viable source for the production of canthin-6-one alkaloids with promising antiparasitic potential.</p>

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Antiparasitic activity and molecular docking of canthin-6-one derivatives from LED- modulated Eurycoma longifolia roots against Blastocystis ST3 and ST7

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年5月19日

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  • Mahmoud Ali Khalaf Abushattal,
  • Sani Sale,
  • Muhammad Tahir Muhammad,
  • Sreeramanan Subramaniam,
  • Mohamad Nurul Azmi Mohamad Taib,
  • Arutchelvan Rajamanikam,
  • Farah Haziqa Meor Termizi,
  • Nor Hasnida Hassan,
  • Mohamad Fadhli Mad’ Atari

摘要

Eurycoma longifolia (tongkat ali) is a widely recognized medicinal plant in Southeast Asia, valued for its bioactive alkaloids and quassinoids. Building on previous findings that light-emitting diode (LED) modulation enhances the antiproliferative activity of E. longifolia hairy root cultures (ELHRCs) crude extracts, this study aimed to isolate the specific active constituents, characterize their subtype-specific efficacy, and perform in silico analysis to evaluate potential interaction with proteases against Blastocystis ST3 and ST7. Through chromatographic purification and spectroscopic analysis (NMR, FT-IR, and GC-MS), two compounds canthin-6-one (1) and 9-methoxycanthin-6-one (2) were isolated from ELHRCs grown under various LED spectra for 10 weeks. Quantitative analysis revealed that compound 1 was specifically isolated from Red LED treatments. In contrast, compound 2 was successfully isolated across all treatments, with the highest yield (1.00%) obtained under Mint Green LED illumination. In vitro assays demonstrated that both compounds exhibited dose-dependent inhibitory activity. Using nonlinear sigmoidal dose-response modelling, the values for compound 2 were determined to be 0.0427 mg/mL (ST3) and 0.0433 mg/mL (ST7), while compound 1 exhibited values of 0.0482 mg/mL (ST3) and 0.0603 mg/mL (ST7). Molecular docking studies targeting a cysteine protease surrogate revealed binding affinities of − 6.9 kcal/mol and − 7.3 kcal/mol for compounds 1 and 2, respectively. Although the standard drug metronidazole exhibited higher potency in vitro, these results indicate that LED-stimulated ELHRCs are a viable source for the production of canthin-6-one alkaloids with promising antiparasitic potential.