A novel herbal aromatic essential oil for treating Chemotherapy-Induced Nausea and Vomiting: a mass spectrometry and network pharmacology study of the traditional Chinese medicine formula

Abstract Objectives: This study aimed to investigate the substance basis and pharmacological mechanism of Dingxiang Shidi Decoction in preventing and treating Chemotherapy-Induced Nausea and Vomiting (CINV). Methods: We employed advanced analytical techniques including UPLC-MS/MS and GC-MS to analyze the chemical components of Dingxiang Shidi Decoction. Network pharmacology and molecular docking techniques were applied to explore its pharmacological mechanisms. Results: Our study established a comprehensive chemical composition database for Dingxiang Shidi Decoction, integrating UPLC-MS/MS qualitative components, GC-MS qualitative components, and network database entries, comprising 292 chemical compounds. Furthermore, we elucidated potential pharmacologically active components and pathways associated with alleviating CINV symptoms by Dingxiang Shidi Decoction. These pathways include inflammation reduction, modulation of neurotransmitter stimulation in the gastrointestinal tract, and regulation of cellular proliferation and differentiation. Notably, key active ingredients, predominantly aromatic compounds such as sabinene, (-)-α-cubebene, α-copaene, β-caryophyllene, aromandendrene, γ-muurolene, (-)-α-muurolene, α-phellandrene, α-terpinene, γ-terpinene, (+)-δ-cadinene, and Gomisin B, demonstrate significant binding affinity with multiple targets, notably AKT1, BCL2, EGFR, MTOR, and STAT3. Conclusions: This study sheds light on the substance basis and pharmacological mechanisms of Dingxiang Shidi Decoction in CINV treatment, providing valuable insights for its clinical application and suggesting aromatherapy as a promising therapeutic approach. These findings provide insights into the multifaceted pharmacological mechanisms of Dingxiang Shidi Decoction and its potential applications in clinical settings for the treatment of chemotherapy-induced nausea and vomiting.