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<p><i>Merremia vitifolia</i> (Burm. fil.), conventionally used to treat fever and inflammation, has yet to be scientifically authenticated for its antipyretic efficacy. Therefore, this study investigates the antipyretic efficacy of methanolic stem extract of <i>M. vitifolia</i> (MVS) using an in vivo yeast-induced pyrexia model and in silico molecular approaches. Swiss mice treated with MVS at 200 and 400&#xa0;mg/kg exhibited significant, dose-dependent reductions in rectal temperature, comparable to standard paracetamol. Moreover, molecular docking revealed strong binding affinities of phytoconstituents, particularly pheophorbide A (− 8.6&#xa0;kcal/mol) and quercetin (− 8.4&#xa0;kcal/mol) to the COX-2 enzyme, a known mediator of fever. These results were validated further by molecular dynamics simulations, which showed that the ligand and COX-2 interacted stably and the binding areas were less flexible. QSAR and ADMET analyses confirmed the drug-likeness and non-toxic nature of these constituents. Together, the results from experiments and computer models support the traditional use of <i>M. vitifolia</i> for reducing fever and highlight pheophorbide A and quercetin as strong candidates for targeting COX-2 to help lower fever<b>.</b></p>

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Exploring the antipyretic efficacy of Merremia vitifolia (Burm. fil.): from traditional use to molecular docking insights

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年7月7日

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  • Fakhrul Islam,
  • Muhammad Tawhid,
  • Md. Estiac Jan,
  • Muhammed Amanat,
  • Khamender Kumar

摘要

Merremia vitifolia (Burm. fil.), conventionally used to treat fever and inflammation, has yet to be scientifically authenticated for its antipyretic efficacy. Therefore, this study investigates the antipyretic efficacy of methanolic stem extract of M. vitifolia (MVS) using an in vivo yeast-induced pyrexia model and in silico molecular approaches. Swiss mice treated with MVS at 200 and 400 mg/kg exhibited significant, dose-dependent reductions in rectal temperature, comparable to standard paracetamol. Moreover, molecular docking revealed strong binding affinities of phytoconstituents, particularly pheophorbide A (− 8.6 kcal/mol) and quercetin (− 8.4 kcal/mol) to the COX-2 enzyme, a known mediator of fever. These results were validated further by molecular dynamics simulations, which showed that the ligand and COX-2 interacted stably and the binding areas were less flexible. QSAR and ADMET analyses confirmed the drug-likeness and non-toxic nature of these constituents. Together, the results from experiments and computer models support the traditional use of M. vitifolia for reducing fever and highlight pheophorbide A and quercetin as strong candidates for targeting COX-2 to help lower fever.