LC–HRMS Identification of Yucca schidigera Saponins and Correlation with Antimicrobial and Anticoccidial Properties

Abstract Objectives: This study investigated the relationship between the chemical composition of Yucca schidigera saponins and their antimicrobial and anticoccidial activities against Clostridium perfringens and Eimeria tenella. Methods: Extracts of Y. schidigera were obtained using 100% methanol (MeOH), 50% MeOH, and water, and characterized by LCHRMSto identify saponins. Multivariate analyses (PLS–DA and OPLS-DA) were performed to assess chemical differences among extracts. In vitro assays were conducted to evaluate antimicrobial activity against C. perfringens and anticoccidial activity against E. tenella. The most active extract was fractionated into three saponin-enriched subfractions, and ridge regression was applied to link chemical composition to bioactivity. Results: LC–HRMS identified multiple saponins in all extracts, with chemical differences among solvents. The 100% and 50% MeOH extracts inhibited C. perfringens growth at 750 ppm, while the water extract was inactive. The 100% MeOH extract reduced E. tenella intracellular development by 77%, compared with 48% and 25% inhibition by the 50% MeOH and water extracts. Fractionation of this extract produced three subfractions, of which the first (fraction 1) showed the highest bioactivity (MIC = 500 ppm; 84% inhibition of E. tenella). Ridge regression highlighted schidigerasaponins D3/D4, smilagenin, sarsasapogenin, and hecogenin as key contributors to bioactivity. Conclusion: Y. schidigera saponins exhibit significant antimicrobial and anticoccidial activity. The study establishes a data-driven framework for predicting structure–activity relationships, providing a rational basis for botanical screening and standardization.