A dual approach to cancer therapy and diagnosis: in vitro, in vivo, and in silico study of 131I-labeled pentagamavunon-0

This study assessed [131I]I-PGV-0 as a potential targeted radiopharmaceutical for breast cancer treatment. The [131I]I-PGV-0 exhibited significantly enhanced cellular uptake compared to 131I (30–50 times greater). MDA-MB-231 cells demonstrated higher susceptibility to the compound due to their radiosensitive ER-negative phenotype, while MCF7 cells displayed adaptive responses. Apoptotic observations confirmed the compound’s ability to induce significant cell death through targeted mechanisms. Molecular dynamics simulations revealed stable structural integrity with favorable RMSD and RMSF profiles, while biodistribution studies indicated accumulation in the thyroid and stomach. The [131I]I-PGV-0 demonstrates substantial promise as a targeted radiopharmaceutical for aggressive and resistant breast cancer subtypes.