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Background <p><i>Ardisia humilis Vahl.</i> belongs to the genus <i>Ardisia</i>, which possesses secondary metabolites. This study investigates the phytoconstituents, antioxidant, and cytotoxic properties of different parts of Ardisia humilis Vahl.</p> Methods <p>Different parts (leaf, stem, seed, flower, and young fruit) of <i>Ardisia humilis Vahl.</i> were extracted using methanol and investigated for the antioxidant and cytotoxic properties in human breast cancer cells (Michigan Cancer Foundation-7/MCF-7). In addition, biochemical profiling was performed using ultra-high-performance liquid chromatography coupled with high-resolution mass spectrometry (UPLC-HRMS). Moreover, molecular docking studies on estrogen receptor alpha (Erα) (PDB ID = 6CBZ) and fatty acid synthase (FASN) (PDB ID = 4PIV) were performed.</p> Results <p>The leaf extract exhibited the highest antioxidant activity (IC<sub>50</sub> = 32.869&#xa0;µg/mL), followed by the stem, seed, young fruit, flower, and old fruit. The highest phenolic content (155.07 mgGAE/g extract) was observed in the leaf extract. The highest total flavonoid content (TFC) was obtained from the stem extract (46.97 mgQE/g extract). A total of 38 compounds were putatively identified across all different parts of <i>Ardisia humilis Vahl.</i> via UPLC-HRMS. In addition, cytotoxicity assays on human breast cancer (MCF-7) cells demonstrated that the seed and leaf extracts significantly inhibited cancer cell proliferation by 101.74 and 92.56%, respectively, at 200&#xa0;µg/mL. Molecular docking revealed that 4',4-dimethylepigallocatechingallate, predominantly found in leaf extract, had the strongest binding affinity to Erαwith a MolDock score of −&#xa0;145.667&#xa0;kcal/mol, surpassing the positive control 4-hydroxytamoxifen (−&#xa0;116.207&#xa0;kcal/mol). Meanwhile, tiliroside, also identified in the leaf, exhibited the best score docking to FASN with a MolDock score (−&#xa0;172.372&#xa0;kcal/mol), outperforming the known inhibitors IPI-9119 and cerulenin.</p> Conclusion <p>This study establishes <i>Ardisia humilis Vahl.</i> plant parts as a significant source of antioxidant and anticancer potential. Further studies are warranted to isolate, characterize, and elucidate the bioactive mechanisms through comprehensive in vitro and in vivo investigations.</p>

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Phytoconstituents and bioactivities among different parts of Ardisia humilis Vahl.: antioxidant activity and anticancer potential via in vitro and molecular docking approaches

  • 期刊论文

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  • 发表日期：

    2026年3月7日

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  • Maya Damayanti Rahayu,
  • Devi Permatasari,
  • Galih Kusuma Aji,
  • Susi Kusumaningrum,
  • Siska Andrina Kusumastuti,
  • Ngatinem Ngatinem,
  • Agus Himawan,
  • Nurhadi Nurhadi,
  • Rudi Heryanto,
  • Alfi Hudattul Hasanah,
  • Agung Eru Wibowo

摘要

Background

Ardisia humilis Vahl. belongs to the genus Ardisia, which possesses secondary metabolites. This study investigates the phytoconstituents, antioxidant, and cytotoxic properties of different parts of Ardisia humilis Vahl.

Methods

Different parts (leaf, stem, seed, flower, and young fruit) of Ardisia humilis Vahl. were extracted using methanol and investigated for the antioxidant and cytotoxic properties in human breast cancer cells (Michigan Cancer Foundation-7/MCF-7). In addition, biochemical profiling was performed using ultra-high-performance liquid chromatography coupled with high-resolution mass spectrometry (UPLC-HRMS). Moreover, molecular docking studies on estrogen receptor alpha (Erα) (PDB ID = 6CBZ) and fatty acid synthase (FASN) (PDB ID = 4PIV) were performed.

Results

The leaf extract exhibited the highest antioxidant activity (IC50 = 32.869 µg/mL), followed by the stem, seed, young fruit, flower, and old fruit. The highest phenolic content (155.07 mgGAE/g extract) was observed in the leaf extract. The highest total flavonoid content (TFC) was obtained from the stem extract (46.97 mgQE/g extract). A total of 38 compounds were putatively identified across all different parts of Ardisia humilis Vahl. via UPLC-HRMS. In addition, cytotoxicity assays on human breast cancer (MCF-7) cells demonstrated that the seed and leaf extracts significantly inhibited cancer cell proliferation by 101.74 and 92.56%, respectively, at 200 µg/mL. Molecular docking revealed that 4',4-dimethylepigallocatechingallate, predominantly found in leaf extract, had the strongest binding affinity to Erαwith a MolDock score of − 145.667 kcal/mol, surpassing the positive control 4-hydroxytamoxifen (− 116.207 kcal/mol). Meanwhile, tiliroside, also identified in the leaf, exhibited the best score docking to FASN with a MolDock score (− 172.372 kcal/mol), outperforming the known inhibitors IPI-9119 and cerulenin.

Conclusion

This study establishes Ardisia humilis Vahl. plant parts as a significant source of antioxidant and anticancer potential. Further studies are warranted to isolate, characterize, and elucidate the bioactive mechanisms through comprehensive in vitro and in vivo investigations.