Phytochemical characterization and anticancer potential of Tribulus terrestris L. Extracts: In vitro and In silico evidence


Uçar E.

South African Journal of Botany, cilt.190, ss.381-393, 2026 (SCI-Expanded, Scopus) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 190
  • Basım Tarihi: 2026
  • Doi Numarası: 10.1016/j.sajb.2026.01.038
  • Dergi Adı: South African Journal of Botany
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, BIOSIS, Geobase
  • Sayfa Sayıları: ss.381-393
  • Anahtar Kelimeler: ADME/T, Antioxidant, Chemical Composition, Molecular docking, Tribulus terrestris
  • Sivas Cumhuriyet Üniversitesi Adresli: Evet

Özet

In this study, the chemical composition, antioxidant and anticancer activities of the Tribulus terrestris plant were focused on and correlated with the molecular docking method. The efficiency of methanol, ethanol, and water in extracting phenolic compounds from T. terrestris was compared, revealing that methanol yielded the highest total phenolic content. Despite its lower extraction capacity, ethanol demonstrated potential as a safer and biocompatible alternative for applications in food, cosmetics, and pharmaceuticals. According to the data obtained; the plant exhibited escalating antioxidant activity with increasing concentrations. While variances among solvents were minimal, the water extract demonstrated the least potent antioxidant effect. The cytotoxic effects of T. terrestris extracts on A549 and L929 cell lines were evaluated at 24, 48, and 72 h. Ethanol extract showed the strongest and most selective activity against A549 cells, while exhibiting lower toxicity in normal fibroblast cells. Molecular docking identified isoquercitrin (4ZXT, −9.17) and hesperidin (5ZMA, −8.49) as the strongest binders in T. terrestris extracts. ADME/T profiling revealed Rule-of-Five violations (two for isoquercitrin, three for hesperidin) and Rule-of-Three violations (two each). Although neither compound fully meets standard drug-likeness criteria, isoquercitrin shows a comparatively more favorable profile that could be further improved through formulation and molecular-design strategies.