Metabolomic profile of Schinopsis brasiliensis via UPLC-QTOF-MS for identification of biomarkers and evaluation of its cytotoxic potential.

Schinopsis brasiliensis is a plant typically found in the caatinga biome (northeastern Brazil). Its leaves and bark have been used for the treatment of health dysfunctions such as cough, influenza, diarrhea, throat inflammation, and sexual impotence. However, there is a lack of knowledge regarding the chemical composition and pharmacological activities of this plant. High-performance liquid chromatography coupled to high-resolution mass spectrometry (UPLC-QTOF-MSE) allowed the partial identification of 33 compounds, including isomers from leaf, branch, and bark samples, with 16 compounds reported for the first time (corilagin, chlorogenic acid, and quercetin derivatives) in S. brasiliensis. Principal component analysis efficiently distinguished the respective parts of the plant. Orthogonal partial least squares discriminatory analysis, together with the variable importance in projection and S-Plot graphs were used to identify 23 biomarker compounds associated with cytotoxic activity against a colorectal cancer cell line.