An integrated strategy for anti-inflammatory quality markers screening of traditional Chinese herbal medicine Mume Fructus based on phytochemical analysis and anti-colitis activity

•A total of 99 compounds were identified in Prunus mume fruit and MUME FRUCTUS extracts.•Anti-colitis activity was compared between Prunus mume fruit and MUME FRUCTUS.•Marker compounds were screened by a correlation analysis and multivariate analysis.•Anti-inflammatory mechanism of markers was explored using molecular docking.•7 Markers were quantified in quality control of drying processed MUME FRUCTUS. Mume Fructus (MF) is used in traditional Chinese herbal medicine (TCM) to treat chronic cough, prolonged diarrhea, and other inflammation-related diseases. It is processed from Prunus mume fruit (PM) by drying at low temperature according to the Chinese Pharmacopoeia. The standard quality control method includes measurement of citric acid content, which is not sufficient to determine its clinical efficacy. In addition, the quality markers, that would ensure consistent drug composition and stability during extraction and processing of the drug, are currently not available. This study sought to determine and analyze the bioactive compounds in MF and to establish the quality maker evaluation system, which would enable accurate assessment of different processing and extraction approaches for MF preparation. First, a UPLC-QTOF-MS/MS method was established to identify the chemical constituents of PM and MF. Second, the 2,4,6-trinitrobenzenesulfonic acid (TNBS)-treated rats were used to assess anti-inflammatory activity of water and ethanol extracts of PM and MF. Third, correlation analysis and multivariate statistical analysis was used to seek the candidate quality markers of MF. Fourth, molecular docking was used to predict the potential mechanism of identified compounds for the anti-inflammatory activity. Finally, a UPLC method was established to quantify the selected quality markers in MF products, that were prepared by different drying processes. 99 components (28 newly reported) were identified from PM and MF. During the drying process several changes in the composition were observed; caffeoylquinic acids were degraded to p-coumaric acid, caffeic acid, protocatechuic acid, or p-hydroxybenzoic acid; multi-acetyl p-coumaroyl sucroses were degraded to mumeose R and p-coumaroyl-3-O-sucrose. On the other hand, contents of mumefural and amygdalin increased after drying process. In colitis rats, MF reduced more NO levels to greater extent in comparison to PM, which could be attributed to the presence of caffeic acid, p-coumaric acid, protocatechuic acid, p-hydroxy