Explored the pharmacodynamic material basis of Carthamus tinctorius L. in anti-MI/RI based on the ‘spectrum-effect’ relationship analysis combined with UPLC-MS

Carthamus tinctorius L. is widely used for cardiovascular and cerebrovascular diseases. Hydroxysafflor yellow A (HSYA), its major quinochalcone glycoside, is effective against myocardial ischaemia/reperfusion injury (MI/RI), while other compounds’ roles remain unclear. This study established chemical fingerprints of 9 C. tinctorius populations via ultra-performance liquid chromatography, evaluated cardiomyocyte protective effects using Cell Counting Kit-8 assays and performed spectrum-effect analysis integrating grey correlation analysis and partial least-square (PLSR), combined with compound identification via ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry. Seven potential active components were screened: HSYA, kaempferol-3-O-β-sophorose, ­saffloquinoside A, roseoside, quercetin-3,7-di-O-β-D-glucoside, 6-hydroxykaempferol-3,6-di-O-β-D-glucoside, ­saffloquinoside C. These may be key anti-MI/RI substances in C. tinctorius, with specific pharmacological mechanisms to be further verified, providing a reference for exploring its representative active components. This study identifies seven potential bioactive components (e.g., HSYA, saffloquinoside A, roseoside) from Carthamus tinctorius via spectrum-effect relationship analysis and UPLC-QTOF-MS/MS, clarifying their key roles in mitigating myocardial ischemia/reperfusion injury (MI/RI). Our findings enrich the pharmacodynamic material basis of safflower in treating cardiovascular diseases, provide scientific evidence for the development of natural product-based anti-MI/RI agents, and lay a foundation for standardized quality evaluation of Carthamus tinctorius. For TCM quality evaluators, phytochemical researchers, and drug developers, this study offers both practical components and methodological value. The screened bioactive compounds serve as reliable chemical markers for safflower quality assessment, ensuring consistency of medicinal efficacy. Additionally, the integrated approach of spectrum-effect relationship analysis and UPLC-QTOF-MS/MS provides a feasible technical framework for exploring pharmacodynamic material bases of other TCMs, supporting the industrialization and internationalization of traditional medicinal plants.