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<p>Gastric cancer remains a significant global health challenge with an urgent need for novel therapeutic strategies targeting angiogenesis. The vascular endothelial growth factor receptor 2 (VEGFR2) tyrosine kinase is a critical mediator of tumour angiogenesis making it a promising target for drug development. This study aims to investigate the anti-oxidant and phytochemical composition of <i>Dillenia indica</i> L. (Dilleniaceae) fruit, a traditional medicinal plant and its potential as a VEGFR2 tyrosine kinase inhibitor through <i>in–silico</i> analysis. The methanolic extracts of <i>Dillenia indica</i> (MEDI) fruit has demonstrated significant anti-oxidant activity with IC50 values of 24.5 ± 2.6&#xa0;µg/ml (DPPH) and 33.1 ± 0.01&#xa0;µg/ml (SOD), and moderate activity of 33.9 ± 0.3&#xa0;µg/ml (OH) and 44.34 ± 0.11&#xa0;µg/ml (NOD). LC–MS analysis has revealed the presence of 9 natural bioactive phytocompounds among which Kaempferol showed highest VEGFR2 binding affinity (− 9.8kcal/mol) and the stability of this interaction is supported with MD simulation. ADMET profiling showed moderate solubility (− 3.86&#xa0;Log mol/l), good intestinal absorption (74.29%) and moderate distribution (VDss = 1.274&#xa0;log mol/L, Fraction unbound = 0.178). Present findings suggests that <i>Dillenia indica</i> fruit harbours promising VEGFR2 inhibitory compound (kaempferol) that could serve as lead molecule for ethnopharmacological application. Further <i>in–vitro</i> and <i>in–vivo</i> studies are required to validate these results and explore their clinical potential.</p>

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Anti-oxidant and phytochemicals analysis, in–silico identification of bioactive phytochemicals from Dillenia indica L. (Dilleniaceae) fruit as a potential inhibitor for VEGFR2 protein

  • 期刊论文

  • 发表日期：

    2026年2月8日

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  • Taba Yehi,
  • Kunal Bhattacharya,
  • Anjini Bellai,
  • Satyendra Deka,
  • Pallabi Kalita Hui,
  • Hui Tag

摘要

Gastric cancer remains a significant global health challenge with an urgent need for novel therapeutic strategies targeting angiogenesis. The vascular endothelial growth factor receptor 2 (VEGFR2) tyrosine kinase is a critical mediator of tumour angiogenesis making it a promising target for drug development. This study aims to investigate the anti-oxidant and phytochemical composition of Dillenia indica L. (Dilleniaceae) fruit, a traditional medicinal plant and its potential as a VEGFR2 tyrosine kinase inhibitor through in–silico analysis. The methanolic extracts of Dillenia indica (MEDI) fruit has demonstrated significant anti-oxidant activity with IC50 values of 24.5 ± 2.6 µg/ml (DPPH) and 33.1 ± 0.01 µg/ml (SOD), and moderate activity of 33.9 ± 0.3 µg/ml (OH) and 44.34 ± 0.11 µg/ml (NOD). LC–MS analysis has revealed the presence of 9 natural bioactive phytocompounds among which Kaempferol showed highest VEGFR2 binding affinity (− 9.8kcal/mol) and the stability of this interaction is supported with MD simulation. ADMET profiling showed moderate solubility (− 3.86 Log mol/l), good intestinal absorption (74.29%) and moderate distribution (VDss = 1.274 log mol/L, Fraction unbound = 0.178). Present findings suggests that Dillenia indica fruit harbours promising VEGFR2 inhibitory compound (kaempferol) that could serve as lead molecule for ethnopharmacological application. Further in–vitro and in–vivo studies are required to validate these results and explore their clinical potential.