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<p>Guillain-Barré syndrome (GBS) is a rare autoimmune disorder with limited treatment options. This study investigates the chemical composition of <i>Pelargonium graveolens</i> essential oil and explores its potential interaction with GBS-related molecular targets using <i>in-silico</i> tools. Essential oil was analyzed using GC–MS. Identified components were subjected to network pharmacology analysis and molecular docking to assess binding affinities with GBS-relevant proteins, particularly TNF-α. Thirty compounds were identified, with citronellol (26.74%) and geraniol (20.28%) as major components. Comparative phytochemical analysis showed consistency with global <i>P. graveolens</i> chemotypes. Docking results suggest high binding affinity of citronellyl and geranyl derivatives toward TNF-α. These findings support further investigation of <i>P. graveolens</i> oil as a potential modulator of inflammatory pathways in GBS.</p>

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Phytochemical profiling and network pharmacology-based prediction of Pelargonium graveolens essential oil in the context of Guillain-Barré syndrome

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年8月5日

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  • Abdullah Haikal,
  • Abdelrahman Hamdi,
  • Aya M. Almatary

摘要

Guillain-Barré syndrome (GBS) is a rare autoimmune disorder with limited treatment options. This study investigates the chemical composition of Pelargonium graveolens essential oil and explores its potential interaction with GBS-related molecular targets using in-silico tools. Essential oil was analyzed using GC–MS. Identified components were subjected to network pharmacology analysis and molecular docking to assess binding affinities with GBS-relevant proteins, particularly TNF-α. Thirty compounds were identified, with citronellol (26.74%) and geraniol (20.28%) as major components. Comparative phytochemical analysis showed consistency with global P. graveolens chemotypes. Docking results suggest high binding affinity of citronellyl and geranyl derivatives toward TNF-α. These findings support further investigation of P. graveolens oil as a potential modulator of inflammatory pathways in GBS.