Computational Study of Drug Delivery Systems with Radionuclide and Fluorescence Imaging Modalities. II. Doxorubicin Delivery Systems Based on Albumin and Transferrin
DOI:
https://doi.org/10.26565/2312-4334-2025-1-46Keywords:
Drug delivery nanosystems, Human serum albumin, Transferrin, Doxorubicin, Technetium complexes, Fluorescent dyes, Molecular dockingAbstract
This study explores the development of advanced protein-based drug delivery systems for doxorubicin (DOX), an anticancer agent, incorporating both radionuclide (technetium-99m complexes) and fluorescence (Methylene Blue (MB), Indocyanine Green (IG), cyanine AK7-5 and squaraine SQ1) imaging modalities. Building upon previous research on albumin-based carriers, this work expands the scope by introducing transferrin (TRF) as a complementary protein component to create a more sophisticated and targeted delivery platform. Molecular docking technique was employed to design and characterize the multimodal delivery systems that incorporate radiopharmaceuticals and near-infrared fluorescent dyes. The results demonstrate that technetium-99m-based radiopharmaceuticals are capable of strong noncovalent binding to human serum albumin (HSA) and its complexes with transferrin. A comprehensive analysis of docking scores and interacting amino acid residues reveals that HSA-TRF-TcHyn/TcMEB/TcDIS-DOX-IG/SQ1 systems show the highest potential for experimental testing and further development. These findings support the potential of HSA-TRF complexes as nanocarriers with dual imaging capabilities for DOX delivery, offering an approach to enhance therapeutic efficacy while reducing systemic toxicity in anticancer treatment.
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