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<p>The present study investigates the phytochemical composition and pharmacological potential of the ethanolic fruit extract of <i>Tribulus terrestris</i>, emphasizing its antioxidant, anti-inflammatory, antidiabetic, and anticancer properties. Preliminary phytochemical screening confirmed the presence of alkaloids, flavonoids, saponins, tannins, phenols, carbohydrates, sterols, and fatty acids, indicating a rich bioactive profile. GC-MS analysis identified 17 compounds, with Beta-Sitosterol, Diosgenin, Kaempferol and Quercetin as major constituents. UV-visible spectroscopy revealed absorbance peaks characteristic of flavonoids and chlorophyll derivatives, while FTIR analysis indicated functional groups including hydroxyls, carbonyls, and aliphatic chains, confirming complex phytoconstituent diversity. Biological activity assays revealed antioxidant activity through DPPH, ABTS and H₂O₂ scavenging methods, along with dose-dependent anti-inflammatory effects via albumin denaturation inhibition and heat-induced membrane stabilization. The extract also demonstrated significant α-amylase and α-glucosidase inhibitory activity, supporting its antidiabetic potential. Cytotoxicity testing on MDA-MB-231 breast cancer cells showed a concentration-dependent reduction in viability (IC<span>50</span> = 150&#xa0;µg/ml), with minimal toxicity observed in normal cells. Apoptotic effects were confirmed through morphological staining and gene expression analysis, showing upregulation of apoptotic markers (Caspase 3, Cytochrome c) and downregulation of cancer-associated genes (AKT, TNF-α, IL-6). Network pharmacology and molecular docking analyses highlighted interactions between key bio actives and cancer-relevant targets such as AKT, TNF-α, and Caspase 3, revealing potential synergistic mechanisms in breast cancer inhibition. These findings support the therapeutic relevance of <i>Tribulus terrestris</i> as a multi-targeted phytomedicine, warranting further investigation into its clinical applications.</p>

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Phytochemical composition, biological activities, and molecular docking studies of ethanolic fruit extract of Tribulus terrestris: an in vitro and in silico approach

  • 期刊论文

  • 发表日期：

    2025年11月22日

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  • Manoj Kumar Srinivasan,
  • Jayasri Maran,
  • Monisha Prasad,
  • G. Abi Beaulah

摘要

The present study investigates the phytochemical composition and pharmacological potential of the ethanolic fruit extract of Tribulus terrestris, emphasizing its antioxidant, anti-inflammatory, antidiabetic, and anticancer properties. Preliminary phytochemical screening confirmed the presence of alkaloids, flavonoids, saponins, tannins, phenols, carbohydrates, sterols, and fatty acids, indicating a rich bioactive profile. GC-MS analysis identified 17 compounds, with Beta-Sitosterol, Diosgenin, Kaempferol and Quercetin as major constituents. UV-visible spectroscopy revealed absorbance peaks characteristic of flavonoids and chlorophyll derivatives, while FTIR analysis indicated functional groups including hydroxyls, carbonyls, and aliphatic chains, confirming complex phytoconstituent diversity. Biological activity assays revealed antioxidant activity through DPPH, ABTS and H₂O₂ scavenging methods, along with dose-dependent anti-inflammatory effects via albumin denaturation inhibition and heat-induced membrane stabilization. The extract also demonstrated significant α-amylase and α-glucosidase inhibitory activity, supporting its antidiabetic potential. Cytotoxicity testing on MDA-MB-231 breast cancer cells showed a concentration-dependent reduction in viability (IC50 = 150 µg/ml), with minimal toxicity observed in normal cells. Apoptotic effects were confirmed through morphological staining and gene expression analysis, showing upregulation of apoptotic markers (Caspase 3, Cytochrome c) and downregulation of cancer-associated genes (AKT, TNF-α, IL-6). Network pharmacology and molecular docking analyses highlighted interactions between key bio actives and cancer-relevant targets such as AKT, TNF-α, and Caspase 3, revealing potential synergistic mechanisms in breast cancer inhibition. These findings support the therapeutic relevance of Tribulus terrestris as a multi-targeted phytomedicine, warranting further investigation into its clinical applications.