Abstract
Rhodiola crenulata (RC) is a traditional herb and functional food that has demonstrated beneficial effects in improving physical function, enhancing work capacity, alleviating fatigue, and preventing altitude sickness. Additionally, RC has shown promising effects in the treatment of non-alcoholic fatty liver disease (NAFLD), although its specific bioactive components and underlying mechanisms remain unclear. In this study, ultra-high-performance liquid chromatography-mass spectrometry (UHPLC-MS) combined with network pharmacology was employed to identify six potential bioactive compounds from the serum of rats treated with RC-Salidroside, Tyrosol, Crenulatin, Catechin gallate, Eriodictyol, and Rhodiooctanoside-that may contribute to its therapeutic effects on NAFLD. The efficacy of these compounds in improving NAFLD was assessed in vitro using HepG2 cells exposed to Palmitic acid (PA), and it was found that Catechin gallate exhibited a significant effect in reducing lipid accumulation in HepG2 cells. Furthermore, based on network pharmacology predictions, molecular docking studies suggested that the primary targets of Catechin gallate in alleviating fatty liver might include ABCB1, DYRK1A, PGD, and FUT4. Molecular dynamics simulations revealed stable binding interactions between Catechin gallate and these four target proteins. This study clarifies the material basis of RC in the treatment of NAFLD and provides a theoretical foundation for the application of RC and Catechin gallate as functional additives for the management of NAFLD.