Hepatoprotective evaluation of benzoylated emodin derivatives: Integrating bioinformatics and

Background: Emodin exhibits various pharmacological activities, including hepatoprotective effects. However, its clinical application is limited by poor absorption and low oral bioavailability. This study aimed to optimize emodin through benzoylation and to assess the hepatoprotective potential of the resulting derivatives integrating bioinformatics and Methods: We conducted network pharmacology, molecular docking and molecular dynamics (MD) simulations to predict potential targets and interactions of benzoylated emodin derivatives. The derivatives were synthesized and evaluated for cytotoxicity using the MTT assay. The hepatoprotective effects were assessed Results: Network pharmacology analysis and gene expression profiling identified four major targets- Conclusion: This study provides a comprehensive evaluation of benzoylated emodin derivatives as potential hepatoprotective agents. The findings suggest that these derivatives exhibit binding affinity toward important targets related to cirrhosis, reduced toxicity to cells, and enhanced the efficacy in protecting the liver