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<p>Inflammatory process and its associated illnesses pose the greatest threat to public health. <i>Secamone emetica</i> (Retz.) R. Br. ex Sm. is an important medicinal plant used in traditional medicine. But still that has not been studied much for its pharmacological properties. Primary aim of this study was to investigate the phytochemical composition and biological effectiveness of <i>S. emetica</i> as antioxidant and anti-inflammatory agent. Leaf extract was prepared using soxhlet extraction and the biochemical characterization was done by GC–MS and FTIR analysis. Antioxidant activity was done by DPPH (74.59%) and ABTS (86.07%) assays. Anti-inflammatory activity was determined by HRBC membrane stabilization (62.78%) and albumin stabilization (56.87%) assay. Selected compounds identified from GC–MS analysis were assessed for their interactions with the active sites of Cyclooxygenase enzymes through in-silico docking and dynamics studies showed the strong binding affinity against both enzymes. SwissADME, pkCSM and PROTOX-II online tools were used to predict the pharmacokinetic and toxicity properties of selected compounds. The results of this work will encourage additional in-vivo investigation into the use of <i>S. emetica</i> as potential therapeutic agent against inflammation and inflammation related diseases.</p>

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Exploring the anti-inflammatory activities of Secamone emetica: experimental assays coupled with molecular docking and dynamics

  • 期刊论文

  • 发表日期：

    2026年3月23日

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  • Madhavan Sowmiya,
  • Kuppusamy Selvam,
  • Muthugounder Subaramanian Shivakumar,
  • Chinnamadhu Archana,
  • Poomani Kumaradhas

摘要

Inflammatory process and its associated illnesses pose the greatest threat to public health. Secamone emetica (Retz.) R. Br. ex Sm. is an important medicinal plant used in traditional medicine. But still that has not been studied much for its pharmacological properties. Primary aim of this study was to investigate the phytochemical composition and biological effectiveness of S. emetica as antioxidant and anti-inflammatory agent. Leaf extract was prepared using soxhlet extraction and the biochemical characterization was done by GC–MS and FTIR analysis. Antioxidant activity was done by DPPH (74.59%) and ABTS (86.07%) assays. Anti-inflammatory activity was determined by HRBC membrane stabilization (62.78%) and albumin stabilization (56.87%) assay. Selected compounds identified from GC–MS analysis were assessed for their interactions with the active sites of Cyclooxygenase enzymes through in-silico docking and dynamics studies showed the strong binding affinity against both enzymes. SwissADME, pkCSM and PROTOX-II online tools were used to predict the pharmacokinetic and toxicity properties of selected compounds. The results of this work will encourage additional in-vivo investigation into the use of S. emetica as potential therapeutic agent against inflammation and inflammation related diseases.