Liu_2022_Rapid.Commun.Mass.Spectrom__e9332

RATIONALE: The dried roots of Euphorbia kansui L., known as Kansui, have been used to treat ascites and edema in Traditional Chinese Medicine. However, the toxicity of this herb had seriously restricted its clinical application. A unique vinegar-processing method has been used to reduce its toxicity since ancient China. However, the detoxification mechanism underlying such vinegar-processing has not been fully revealed, to find the answer, the processed-induced components change should be carefully investigated. METHODS: Here we performed systematic analysis of chemical components in raw and vinegar-processed Kansui by UPLC-DAD-MS/MS and UPLC-HR-MS, 31 chemical components in raw and vinegar processed Kansui were found, and the chemical structure of 28 components among them was proposed, and the processed-induced components change was then investigated. RESULTS: A comprehensive conclusion about the processed-induced chemical change was drew. It was found that jatrophane-type diterpenoids decreased markedly after the vinegar-processing, while ingenane-type diterpenoids retained in the vinegar-processing. In silico drug target identification gave hints that jatrophane-type diterpenoids, which decreased markedly during the vinegar-processing, maybe has more intense toxicity involved in cholinesterase and MAPKs, while ingenane-type diterpenoids, which retained in the vinegar-processing, maybe has more intense therapeutic effect involved in carbonic anhydrase. CONCLUSIONS: The possible detoxification mechanism of vinegar-processed Kansui was present. The research has significance on the therapeutic/toxic chemical basis of Kansui, besides, it has significance on drug discovery from terpenoids within the herb.