Scholarlink

Purpose <p>This study aimed to investigate the volatile phytoconstituents of <i>Machilus macrantha</i> extracts for their anti-inflammatory potential and understanding the possible anti-inflammatory targets through Network pharmacological analysis.</p> Methods <p>Hexane extracts were prepared from the leaves and barks of <i>M. macrantha</i> and GC–MS analysis was carried out to identify volatile phytoconstituents. Network pharmacological analysis of the phytoconstituents was performed using tools such as Swiss Target Prediction, GeneCards, and STRING, with interaction networks constructed in Cytoscape 3.10.0. Enriched molecular pathways involved in inflammation were predicted using ShinyGO. Molecular docking studies were conducted with Schrödinger Maestro, and RT-qPCR analyses were performed to validate the <i>in silico</i> findings.</p> Results <p>Overall, 55 phytoconstituents were identified from the hexane extracts. Network pharmacology revealed eight key anti-inflammatory targets, among which PTGS2 (COX-2) showed the highest enrichment. The arachidonic acid metabolism pathway exhibited the greatest fold enrichment with the lowest p-values. Leaf hexane extract demonstrated significant inhibition of the COX-2 gene at the concentrations of 0.5, 10, 25, and 50&#xa0;μg/mL in RAW 264.7 cells (<i>p</i> &lt; 0.0001), which validates the <i>in silico</i> findings. Molecular docking indicated that <i>β</i>-eudesmol, a sesquiterpene that is identified in the same extract, has the strongest binding affinity towards COX-2.</p> Conclusion <p>Anti-inflammatory activity of <i>M. macrantha</i> is mediated through arachidonic acid metabolism pathway and likely by COX-2 inhibition. Further investigation of <i>M. macrantha</i> extracts may result lead compounds for the development of novel anti-inflammatory agents.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Elucidation of Potential Anti-Inflammatory Targets of Machilus macrantha (Gulmavu) by Utilizing GC–MS, Network Pharmacological Analysis, and Experimental Validation

  • 期刊论文

  • 发表日期：

    2026年2月5日

查看全文
  • Nabarun Mukhopadhyay,
  • Srilakshmi Satti,
  • Sibu Sen,
  • Ashish Kumar,
  • Rujuta Sandbhor,
  • Amol G. Dikundwar,
  • Venkata Rao Kaki,
  • Manoj P. Dandekar

摘要

Purpose

This study aimed to investigate the volatile phytoconstituents of Machilus macrantha extracts for their anti-inflammatory potential and understanding the possible anti-inflammatory targets through Network pharmacological analysis.

Methods

Hexane extracts were prepared from the leaves and barks of M. macrantha and GC–MS analysis was carried out to identify volatile phytoconstituents. Network pharmacological analysis of the phytoconstituents was performed using tools such as Swiss Target Prediction, GeneCards, and STRING, with interaction networks constructed in Cytoscape 3.10.0. Enriched molecular pathways involved in inflammation were predicted using ShinyGO. Molecular docking studies were conducted with Schrödinger Maestro, and RT-qPCR analyses were performed to validate the in silico findings.

Results

Overall, 55 phytoconstituents were identified from the hexane extracts. Network pharmacology revealed eight key anti-inflammatory targets, among which PTGS2 (COX-2) showed the highest enrichment. The arachidonic acid metabolism pathway exhibited the greatest fold enrichment with the lowest p-values. Leaf hexane extract demonstrated significant inhibition of the COX-2 gene at the concentrations of 0.5, 10, 25, and 50 μg/mL in RAW 264.7 cells (p < 0.0001), which validates the in silico findings. Molecular docking indicated that β-eudesmol, a sesquiterpene that is identified in the same extract, has the strongest binding affinity towards COX-2.

Conclusion

Anti-inflammatory activity of M. macrantha is mediated through arachidonic acid metabolism pathway and likely by COX-2 inhibition. Further investigation of M. macrantha extracts may result lead compounds for the development of novel anti-inflammatory agents.