Deciphering the mechanism and substance basis of Dingxiang Shidi Decoction for the treatment of chemotherapy-induced nausea and vomiting by integrating mass spectrometry, network pharmacology and molecular docking.

This article focuses on elucidating the active components and therapeutic mechanisms of Dingxiang Shidi Decoction (DXSD), a classical Traditional Chinese Medicine formula, in treating chemotherapy-induced nausea and vomiting (CINV). Using advanced analytical methods (UPLC-MS/MS and GC-MS), network pharmacology, and molecular docking, the study identified 292 chemical compounds in DXSD, highlighting twelve key aromatic constituents—mainly volatile terpenes—that interact with 143 potential therapeutic targets related to CINV. Key targets such as AKT1, BCL2, EGFR, MTOR, and STAT3 are implicated in hormone regulation, inflammation reduction, neurotransmitter modulation, and cancer cell apoptosis. The findings support the clinical use of DXSD and suggest the potential development of aromatherapy-based treatments for managing CINV symptoms in cancer patients.