In Silico and In Vitro Anticancer Evaluation of Hydroalcoholic Seed and Exudate Extract of Artocarpus Heterophyllus

Background: Hepatocellular carcinoma (HCC) imposes a substantial global health burden, arising primarily from chronic liver inflammation and various risk factors such as viral infections, non-alcoholic fatty liver disease (NAFLD), cirrhosis, alcohol abuse, and aflatoxin exposure. Early detection and effective treatment strategies are crucial for mitigating its impact. Methodology: This study explores the potential of Artocarpus heterophyllus, commonly known as Jackfruit, in HCC management. Experimental evaluations include finding the total phenolic content, antioxidant assays, and cytotoxicity assessments of A. heterophyllus extracts. Molecular docking studies analyze the binding affinity of selected phytocompounds from A. heterophyllus with target proteins associated with HCC. Results: The total phenolic content of A. heterophyllus extracts varies, with the highest recorded phenolic contents being 164.99 ± 97.321 mg/g. Antioxidant assays reveal potent scavenging activity against free radicals, with hydroalcoholic extract of A. heterophyllus exudate (HAEAHE) exhibiting a ferrous reducing capacity of 63.14 ± 0.74 mg/g. Cytotoxicity assays demonstrate dose-dependent cytotoxic effects on HepG2 cells, with sample A exhibiting the lowest IC50 value of 100 µg/mL. Molecular docking studies identify promising phytocompounds from A. heterophyllus with strong binding affinity to target proteins linked to HCC, with Carpachromene, cudraflavone B, and cycloartocarpesin showing docking scores of -8.1, -8.0, and -8.0 kcal/mol against VEGFR2, respectively. Conclusion: Artocarpus heterophyllus demonstrates promising medicinal properties for HCC management, supported by its antioxidant richness, cytotoxic effects on cancer cells, and potential therapeutic candidates shown through molecular docking studies. These findings suggest a potential role for A. heterophyllus as a complementary or supportive therapy in HCC treatment.