Essential oil-derived compounds target core fatigue-related genes: A network pharmacology and molecular Docking approach.

ABSTRACT: Fatigue is a widespread condition associated with various health issues, yet identifying specific bioactive compounds for its management remains challenging. This study integrates network pharmacology and molecular docking to uncover essential oil-derived compounds with potential antifatigue properties by targeting key genes and molecular pathways. A comprehensive analysis of 872 essential oil compounds was conducted using PubChem, with target prediction via SwissTargetPrediction. The protein-protein interaction (PPI) network and KEGG pathway analysis identified core fatigue-related targets, including ALB, BCL2, EGFR, IL-6, and STAT3, in metabolic dysregulation and inflammatory responses linked to fatigue. Molecular docking exhibits strong binding affinity between key compounds such as Cal

SUBMITTER: Dakpa G 

PROVIDER: S-EPMC12118864 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature