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<p>Copper sulphate induced emesis is mediated through serotonergic and dopaminergic pathways, yet the antiemetic potential of <i>Coccinia grandis</i> (L.) Voigt roots remain underexplored. This study evaluated petroleum ether, ethanol, aromatic, and hydroalcoholic root extracts using i<i>n vivo</i>, phytochemical, and in silico approaches. Acute oral toxicity was assessed in Swiss albino mice at doses of 1000, 2000, and 3000&#xa0;mg/kg body weight following Organisation for Economic Co-operation and Development guideline Test No. 423. No mortality or adverse signs were observed over a 14-day period, and the lethal dose causing 50% mortality (LD₅₀) exceeded 3000&#xa0;mg/kg for all four extracts, confirming their safety. Antiemetic activity was evaluated using a chick emesis model induced by copper sulphate (50&#xa0;mg/kg, orally), with ondansetron (5&#xa0;mg/kg) and metoclopramide (50&#xa0;mg/kg) as reference drugs. All extracts showed dose-dependent antiemetic activity; the hydroalcoholic extract at 400&#xa0;mg/kg produced the highest inhibition (59–61%), comparable to ondansetron but lower than metoclopramide (67–68%). Liquid chromatography–mass spectrometry identified six phytoconstituents: dodecanol, gentianine, traumatic acid, palmitic acid, ephedrine, and tigloidine. Molecular docking at the 5-hydroxytryptamine type 3A (5-HT₃A) receptor revealed tigloidine as the strongest binder (−5.6&#xa0;kcal/mol) relative to ondansetron (−7.4&#xa0;kcal/mol), while traumatic acid exhibited greater affinity at the dopamine D₂ receptor (−6.4&#xa0;kcal/mol) than metoclopramide (−5.3&#xa0;kcal/mol), indicating dual-target receptor engagement. These findings validate the traditional antiemetic use of <i>Coccinia grandis</i> and support further clinical investigations.</p> Graphical abstract

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Integrated in vivo and in silico evaluation of Coccinia grandis (L.) Voigt root constituents reveals dual targeting of 5-HT3A and D2 receptors in emesis

  • 期刊论文

  • 发表日期：

    2026年6月30日

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  • Shubham N. Kanawade,
  • Ravindra B. Laware,
  • Rahul K. Kunkulol,
  • Vishwas B. Patare

摘要

Copper sulphate induced emesis is mediated through serotonergic and dopaminergic pathways, yet the antiemetic potential of Coccinia grandis (L.) Voigt roots remain underexplored. This study evaluated petroleum ether, ethanol, aromatic, and hydroalcoholic root extracts using in vivo, phytochemical, and in silico approaches. Acute oral toxicity was assessed in Swiss albino mice at doses of 1000, 2000, and 3000 mg/kg body weight following Organisation for Economic Co-operation and Development guideline Test No. 423. No mortality or adverse signs were observed over a 14-day period, and the lethal dose causing 50% mortality (LD₅₀) exceeded 3000 mg/kg for all four extracts, confirming their safety. Antiemetic activity was evaluated using a chick emesis model induced by copper sulphate (50 mg/kg, orally), with ondansetron (5 mg/kg) and metoclopramide (50 mg/kg) as reference drugs. All extracts showed dose-dependent antiemetic activity; the hydroalcoholic extract at 400 mg/kg produced the highest inhibition (59–61%), comparable to ondansetron but lower than metoclopramide (67–68%). Liquid chromatography–mass spectrometry identified six phytoconstituents: dodecanol, gentianine, traumatic acid, palmitic acid, ephedrine, and tigloidine. Molecular docking at the 5-hydroxytryptamine type 3A (5-HT₃A) receptor revealed tigloidine as the strongest binder (−5.6 kcal/mol) relative to ondansetron (−7.4 kcal/mol), while traumatic acid exhibited greater affinity at the dopamine D₂ receptor (−6.4 kcal/mol) than metoclopramide (−5.3 kcal/mol), indicating dual-target receptor engagement. These findings validate the traditional antiemetic use of Coccinia grandis and support further clinical investigations.

Graphical abstract