Comprehensive Screening and Identification of Phillyrin Metabolites in Rats Based on UHPLC-Q-Exactive Mass Spectrometry Combined with Multi-Channel Data Mining

Abstract

Phillyrin, a well-known bisepoxylignan, has been shown to have many critical pharmacological activities. In this study, a novel strategy for the extensive acquisition and use of data was established based on UHPLC-Q-Exactive mass spectrometry to analyze and identify the in vivo metabolites of phillyrin and to elucidate the in vivo metabolic pathways of phillyrin. Among them, the generation of data sets was mainly due to multichannel data mining methods, such as high extracted ion chromatogram (HEIC), diagnostic product ion (DPI), and neutral loss filtering (NLF). A total of 60 metabolites (including the prototype compound) were identified in positive and negative ion modes based on intuitive and useful data such as the standard’s cleavage rule, accurate molecular mass, and chromatographic retention time. The results showed that a series of biological reactions of phillyrin in vivo mainly included methylation, hydroxylation, hydrogenation, sulfonation, glucuronidation, demethylation, and dehydrogenation and their composite reactions. In summary, this study not only comprehensively explained the in vivo metabolism of phillyrin, but also proposed an effective strategy to quickly analyze and identify the metabolites of natural pharmaceutical ingredients in nature.

Metabolome analysis of genus Forsythia related constituents in Forsythia suspensa leaves and fruits using UPLC-ESI-QQQ-MS/MS technique

“…Thus, unique metabolites of different species may be formed during adaptation to growing conditions. Previous studies have isolated and identified various medically active compounds in the fruits of Forsythia suspensa , including the structures of rengyosides A, B and C [ 11 ]. Numerous fruit-derived metabolites have been isolated from previous studies.…”

Antibacterial activity of phillyrin and its effect on the preservation of minced pork

“…Phillyrin, a natural lignan, is the main bioactive component of F. suspensa . Studies on phillyrin have shown that it is found mainly in the leaves and fruits of the plant F. suspensa (Kim et al, 2000; Xia et al, 2011): phillyrin can be extracted by maceration, Soxhlet, and microwave‐assisted extraction methods (Ma et al, 2020; Xu et al, 2019). Relevant reports indicated no acute toxicity of water or ethanol extract of the leaves of F. suspensa in mice, even at daily dose of 61.60 g/kg (Ai et al, 2011; Hou et al, 2016).…”