UPLC-MS/MS and chemometrics analyses reveal chemical profile and anti-inflammatory activity of Bienertia cycloptera Bunge fractions.

Introduction: Bienertia cycloptera is a species belonging to the Chenopodiaceae family. According to earlier reports, a unique research study on the phytochemistry and biological analysis of that species was conducted.

Objective: This study presents an integrated metabolomics investigation combined with multivariate analysis of various extractive fractions of B. cycloptera aerial parts. This study is the first attempt to explore the anti-inflammatory metabolites from B. cycloptera, showing its significance as a valuable traditional medicine.

Methodology: By comparing retention times, quasi-molecular ions, and MS/MS fragment ions with databases and literature references, metabolite annotation was accomplished using ultra performance liquid chromatography (UPLC)/triple quadrupole mass spectrometry (MS). Moreover, the effects of the studied samples on the gene expression of the four pro-inflammatory cytokines (IL-1β, IL-6, TNF-α, and INF-γ) using polymerase chain reaction (PCR) and comparing their results by those caused by piroxicam were tested to determine their anti-inflammatory efficacy.

Results: Chemical profiling revealed diverse metabolites, with 62 chromatographic peaks identified across various chemical classes. UPLC-MS/MS of different B. cycloptera fractions unveiled distinct chemical profiles. Results showed distinct chemical compositions in each fraction, with petroleum ether fraction enriched in sterols and fatty acids; methylene chloride fraction in alkaloids, sterols, and cardenolides; ethyl acetate fraction in alkaloids, flavonoids, cardenolides, and phenolic acids; and n-butanol fraction in flavonoids, alkaloids, and phenolic acids. Multivariate data analysis illustrated clustering patterns among petroleum ether, methylene chloride, ethyl acetate, and n-butanol fractions. OPLS-DA models were constructed to discern inter-class differences, identifying discriminatory metabolites. In vitro cytotoxicity and anti-inflammatory assays demonstrated the safety and efficacy of B. cycloptera fractions, with significant downregulation of pro-inflammatory markers. Further analysis revealed specific metabolites associated with anti-inflammatory effects, such as p-hydroxybenzoic acid, vanillic acid, tachioside, ferulic acid, staphylionoside D, humilixanthin, bergaptol, vulgaxanthin I, and portulacaxanthin III.

Conclusion: The findings of this study provide valuable insights into the chemical composition and bioactivity of B. cycloptera fractions, suggesting their potential as therapeutic agents and warranting further investigation.