Research on the effect of spleen-invigorating and anti-swelling active ingredients in crude and processed coix seed based on Spectrum – Effects relationship combined with chemometrics

Coix seed (CS) is the dry mature seed kernel of Coix lacrma-jobi L. var. mayuen (Roman.) Stapf, which has the effect of spleen-invigorating and anti-swelling. However, research reports on the main active ingredients of CS were minimal. The purpose of this study was to find the main active ingredients that affect the efficacy of CS to invigorate the spleen and reduce swelling through the spectrum-effect relationship, combined with chemometrics, grey relational analysis (GRA) and entropy method, and to compare the differences between the effects of crude and processed CS. First of all, the HPLC-ELSD method was used to establish the chromatographic fingerprint of CS, and 12 batches of CS samples were analyzed through chemometrics in this study. Then, we studied the effect of spleen-invigorating and anti-swelling in CS. Finally, through grey relational analysis and entropy method, the spectrum-effect relationship between the chromatographic fingerprint and the seven pharmacodynamic effect indexes was studied. The results showed that the main pharmacologically active ingredients were 1,3-Dioleoyl-2-palmitoylglycerol (peak 8), 1,2-dilinoleoyl-3-oleoyl-rac-glycerol (peak 2), 1,3-Dipalmitoyl-2-Linolein (peak 5), 1,2-Dilinoleoyl-3-palmitoyl-rac-glycerol (peak 3), 1,2-Dioleoyl-3-linoleoyl-rac-glycerol (peak 4), and glycerol trioleate (peak 7), and the comprehensive efficacy of bran-fried CS was better than that of raw CS. In summary, we have identified the main active ingredients related to the efficacy of CS. As far as we know, this is the first time that the crude and processed CS spectrum-effect relationship has been established and compared, which provides a theoretical basis for subsequent studies on the material basis and molecular mechanism of CS pharmacodynamics.