Chemical profiling and multi-dimensional pharmacokinetic analysis of shengmaiyin oral liquid for cardiac dysfunction.

Shengmaiyin oral liquid (SMY), formulated with schisandra chinensis, red ginseng, and Ophiopogon japonicus, is widely used for treating cardiac dysfunction (CD). However, its functional chemical basis and pharmacological profiles remain insufficiently explored. This study employed advanced analytical strategies to characterize the bioactive components of SMY and investigate their in silico pharmacodynamics and in vivo pharmacokinetics, providing mechanistic insights into their roles in CD treatment. Using UPLC-Q-TOF-MS/MS, 132 compounds were identified in SMY, with 31 detected in the plasma of SMY-treated mice. Among these, 21 chemicals (12 lignans and 9 saponins) were identified as key bioactives against CD. Network pharmacology and molecular docking revealed their multi-target interactions and varied binding affinities with CD-related proteins. Pharmacokinetic (PK) analysis showed that 5 compounds had high plasma exposure and rapid elimination in CD model mice. All 21 chemicals exhibited significant tissue distribution following prolonged SMY administration. The globally pharmacokinetic seeking (GPS) box analysis revealed two distinct fast and slow PK patterns among the chemicals. Notably, a highly tissue-specific and time-dependent alteration of lignan and saponin clusters was observed in the hearts of CD mice within 8 h post-administration. This study highlights the GPS box as an innovative platform for multi-dimensional PK analysis. These findings advance the integration of traditional herb medicine with modern analytical methodologies, offering new perspectives for developing precision medicine approaches in ethnopharmacology.