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<p>A significant worldwide health concern is chronic wounds related to diabetes mellitus (DM), frequently leading to excision due to impaired healing processes exacerbated by secondary infections (e.g., <i>Staphylococcus aureus</i> and <i>Escherichia coli</i>), neuropathy, and endothelial dysfunction. Doxycycline, recognized for inhibiting matrix metalloproteins (MMP-9), is essential for improving angiogenesis, cell migration, keratinocyte, and extracellular matrix (ECM) formation for diabetic wound healing. This study explores the molecular interaction of doxycycline monohydrate with MMP-9 through in <i>silico</i> docking simulations using ArgusLab for protein preparation and BIOVIA Discovery Studio to analyze binding conformations and energy levels. Doxycycline-loaded nanoparticles (DOX-NPs) were synthesized using the ionic gelation process and characterized by the entrapment efficiency, Zeta potential, polydispersity index (PDI), size of particles, FTIR spectra, and TEM. In vitro evaluations, encompassing antioxidant properties, drug release, antibacterial efficacy, cytotoxicity, and scratch assays on L929 fibroblast cells, revealed that DOX-NPs enhanced wound healing. The significant binding affinities between doxycycline and MMP-9 indicate the potential effectiveness of DOX-NPs application in diabetic wounds.</p>

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In Silico and In Vitro Assessment of Doxycycline-Loaded Chitosan Nanoparticles for Diabetic Wound Healing

  • 期刊论文

  • 发表日期：

    2025年6月14日

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  • Harish Bhardwaj,
  • Rajendra Kumar Jangde,
  • Ram Kumar Sahu,
  • Abhishek Bhattacharjee

摘要

A significant worldwide health concern is chronic wounds related to diabetes mellitus (DM), frequently leading to excision due to impaired healing processes exacerbated by secondary infections (e.g., Staphylococcus aureus and Escherichia coli), neuropathy, and endothelial dysfunction. Doxycycline, recognized for inhibiting matrix metalloproteins (MMP-9), is essential for improving angiogenesis, cell migration, keratinocyte, and extracellular matrix (ECM) formation for diabetic wound healing. This study explores the molecular interaction of doxycycline monohydrate with MMP-9 through in silico docking simulations using ArgusLab for protein preparation and BIOVIA Discovery Studio to analyze binding conformations and energy levels. Doxycycline-loaded nanoparticles (DOX-NPs) were synthesized using the ionic gelation process and characterized by the entrapment efficiency, Zeta potential, polydispersity index (PDI), size of particles, FTIR spectra, and TEM. In vitro evaluations, encompassing antioxidant properties, drug release, antibacterial efficacy, cytotoxicity, and scratch assays on L929 fibroblast cells, revealed that DOX-NPs enhanced wound healing. The significant binding affinities between doxycycline and MMP-9 indicate the potential effectiveness of DOX-NPs application in diabetic wounds.