Computational Study of Drug Delivery Systems with Radionuclide and Fluorescence Imaging Modalities. III. Doxorubicin Delivery Systems Based on Albumin and Lysozyme
Abstract
This study investigates the development of advanced protein-based drug delivery systems for doxorubicin (DOX) by integrating lysozyme into albumin-based carriers, incorporating both radionuclide (technetium-99m complexes) and fluorescence (near-infrared dyes) imaging modalities. Utilizing molecular docking simulations, we examined the binding affinities and sites of technetium-99m complexes and near-infrared fluorescent dyes within these hybrid protein systems. The results demonstrate that the incorporation of lysozyme significantly modulates the binding landscape, enhancing the specificity and stability of technetium complexes and fluorescent dyes. Notably, the binding affinities of indocyanine green were markedly higher in lysozyme-containing systems, suggesting improved imaging capabilities. Additionally, our analysis revealed distinct binding sites for doxorubicin in the presence of different technetium complexes, which could influence drug release and therapeutic efficacy. These findings support the potential of albumin-lysozyme hybrid systems as nanocarriers with dual imaging capabilities for DOX delivery, offering a promising approach to enhance therapeutic efficacy while reducing systemic toxicity in anticancer treatment and contributing to the design of more sophisticated and targeted delivery platforms for cancer therapy.
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Copyright (c) 2025 V. Trusova, U. Malovytsia, P. Kuznietsov, I. Yakymenko, I. Karnaukhov, A. Zelinsky, B. Borts, I. Ushakov, L. Sidenko, G. Gorbenko

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