Unveiling Berberines Potential for Hepatocellular Carcinoma: Empowered by Molecular Docking-Driven Nanoparticle Enhancement

Abstract

Background: Hepatocellular carcinoma (HCC) poses a significant challenge in oncology due to its high mortality rates and limited treatment options resulting from its aggressive nature and often late-stage diagnosis. Objective: This study aimed to systematically identify a potent anti-HCC agent to address the challenges. Materials and Methods: Initiating with a molecular docking analysis, a comprehensive virtual screening of various compounds was conducted to identify the most promising anti-HCC agent. Berberine (BBR), an isoquinoline alkaloid derived from Hydrastis canadensis and Coptis chinensis, emerged as the most potent candidate, showcasing diverse anti-cancer mechanisms. The BBR, historically recognized for managing bacterial diarrhea, faces challenges in clinical application against HCC due to limitations in solubility and bioavailability. To overcome these constraints, this study employed a protein-based nanoparticulate drug delivery system, leveraging bovine serum albumin nanoparticle (BSA NP) advantages. The synthesis of BSA NPs encapsulating BBR was meticulously executed, yielding BBR-BSA NPs. Results: Subsequent in vitro investigations unequivocally demonstrated the heightened cytotoxicity of BBR when encapsulated within BSA NPs, showcasing superior efficacy compared to free BBR. These nanoformulations exhibited pronounced induction of apoptosis in hepatoma cells, highlighting their enhanced therapeutic potential. Conclusions: In conclusion, this comprehensive approach not only reveals the promise of BBR-BSA NPs in combatting human hepatoma but also represents a significant advancement by addressing limitations associated with conventional BBR formulations, offering improved solubility and bioavailability in the context of HCC therapy.