Network Pharmacology and Molecular Docking of Atalantia ceylanica in Treatement of Hepatotoxicity

This study explores the hepatoprotective potential of Atalantia ceylanica using an integrated systems pharmacology and molecular docking approach. Phytochemical screening, ADME profiling, target prediction, and protein–protein interaction (PPI) network analysis identified 41 overlapping targets between Atalantia ceylanica compounds and liver disease-related genes. Key hub genes such as CASP3, NFKB1, MAPK14, PIK3CA, EGFR, HMOX1, and ESR1 were found to be involved in critical pathways regulating inflammation, apoptosis, oxidative stress, and lipid metabolism. Molecular docking revealed that phytochemicals like kaempferol and scopoletin exhibited strong binding affinities with major targets, suggesting their role in modulating liver damage processes, particularly in non-alcoholic fatty liver disease (NAFLD). The results support the traditional use of Atalantia ceylanica in liver disorders and provide a scientific basis for its multi-target hepatoprotective action. However, further in vitro, in vivo, and clinical studies are necessary to validate its therapeutic efficacy and safety.