In Silico Insights into CLEC4g, TD26, and NRF2 as Therapeutic targets in Hepatocellular Carcinoma

Hepatocellular carcinoma is the 6th most occurring cancer in the world it causes approximately 8,30,000 deaths every year making it one of the leading reasons for cancer related deaths. In this project, we performed molecular docking to investigate the binding affinities of anti-HCC agents with three selected proteins: C-type lectin domain family 4 member G (CLEC4G), TD26, and Nuclear factor erythroid 2-related factor 2 (NRF2). CLEC4G is involved in immune modulation within the liver, TD26 is involved in tumor progression, and NRF2 plays a crucial role in cellular defense mechanisms. Using HDock and PyMOL, we performed molecular docking simulations to evaluate interactions between selected anticancer agents like Sorafenib, Lenvatinib, Regororafenib, Cabozantinib, Doxorubicin with these proteins. The selected ligands showed different binding affinities wherein Doxorubicin (-153.87, -137.42 and -122.77) showed the strongest binding affinity with all the three proteins followed by Cabozantinib, Regorafenib, Lenvatinib and sorafenib respectively. Our findings focus on the therapeutic potential of targeting CLEC4G, TD26, and NRF2 in HCC treatment. Additional lab experiments are needed to verify these results and study their Practical applications. This study provides valuable insights into the development of targeted therapies for HCC, paving the way for precision medicine approaches to improve patient outcomes.