Spectrum-effect relationship between UHPLC-Q-TOF/MS fingerprint and promoting gastrointestinal motility activity of Fructus aurantii based on multivariate statistical analysis. (28th October 2021)

• Record Type: Journal Article
• Authors: Qiao, Rifa; Zhou, Lifen; Zhong, Minyong; Zhang, Min; Yang, Lin; Yang, Yuanfeng; Chen, Haifang; Yang, Wuliang; Yuan, Jinbin
• Is Part Of: Journal of ethnopharmacology. Volume 279(2021)
• Publication Date: 2021-10-28
• Subjects: Fructus aurantii -- Gastrointestinal motility disorders -- Regulating-qi -- Spectrum-effect relationship -- Multivariate statistical analysis; GMD gastrointestinal motility disorder -- TCM traditional Chinese medicine -- FA Fructus aurantii -- UHPLC-Q-TOF/MS ultra-high-performance liquid chromatography coupled with quadrupole-time-of-flight mass spectrometry -- GS1 nebulizer gas -- GS2 heater gas -- CUR curtain gas -- ISVF ion spray voltage -- DP declustering voltage -- CE collision energy -- CES collision energy difference -- 5-HT serotonin -- SP substance P -- MLT motilin -- GAS gastrin -- VIP vasoactive intestinal peptide -- PCA principal component analysis -- VIPpred predicted variable importance for the projection -- OPLS orthogonal partial least squares analysis; Ethnopharmacology -- Periodicals; Pharmacognosy -- Periodicals; Herbs -- Periodicals; Herbs -- Periodicals; Pharmacognosy -- Periodicals; Pharmacognosie -- Périodiques; Herbes -- Périodiques; 615.1
• DOI: 10.1016/j.jep.2021.114366
• Languages: English
• ISSNs: 0378-8741

Abstract

Abstract: Ethnopharmacological relevance: Nowadays, gastrointestinal motility disorders (GMD) have reduced the quality of people's daily life worldwide, but there is still a lack of effective western medicine treatment. Fructus aurantii (FA), a representative regulating-qi herbal medicine, has been widely used to treat GMD in China for thousands of years, but it is not clear that which specific components contribute to the efficacy. Aim of the study: The efficacy differences of various fractions of FA on normal mice and GMD rats were compared, so as to find out the main effective fraction of FA, and to screen the main regulating-qi components based on spectrum-effect relationship and multivariate statistical analysis. Materials and methods: The fingerprints of different fractions of FA were established and main compounds were identified with UHPLC-Q-TOF/MS technique. The promoting gastrointestinal motility activities of FA were evaluated by defecation test, gastric emptying and intestinal propulsion test in mice, and further investigated according to the biochemical analysis of 5-HT, SP, MLT, GAS and VIP in GMD rats' plasma. One-way ANOVA was used to find out the difference of efficacy. The active components were screened through spectrum-effect relationship with PCA-X, Pearson bivariate correlation analysis and OPLS analysis. Conclusions: Ethyl acetate fraction is the main active fraction, and nine compounds are the major regulating-qi components. The developed spectrum-effect analysis can be used for the screening of bioactive components in natural products with high accuracy and reliability. Graphical abstract: Image 1 Highlights: UHPLC-Q-TOF/MS fingerprints of different fractions of AF were established, and 77 compounds were identified. Promoting gastrointestinal motility effect of AF was systematically evaluated on normal mice and GMD model rats. Multivariate statistical analyses were integrated to decode the spectrum-effect relationship. Ethyl acetate fraction and nine components were found to be the main active components.