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<p>Hybrid biopolymeric sponges based on sodium alginate (SA) and bovine gelatin (BG) (1:3, w/w), incorporating <i>copaiba</i> oleoresin (1–3%, w/w) and the [Ag(NA)<sub>2</sub>]NO<sub>3</sub>·H<sub>2</sub>O complex (5%, w/w), were developed and evaluated as candidate wound dressing materials. Three-dimensional porous sponges were produced by lyophilization. X-ray diffraction (XRD) revealed predominantly amorphous structures with discrete crystalline domains attributed to the metallic complex, whose intensity increased with higher <i>copaiba</i> content. Fourier-transform infrared (FT-IR) spectroscopy confirmed the presence of characteristic functional groups, suggesting physical interactions between polymeric matrix, <i>copaiba</i>, and Ag(I). Scanning electron microscopy (SEM) showed that increasing <i>copaiba</i> concentrations promoted denser and rougher features, while energy-dispersive X-ray spectroscopy (EDS) confirmed the homogeneous distribution of Ag within the SA/BG matrix. Mechanical analysis confirmed that the sponges’ hardness is modulated by <i>copaiba</i> and metallic complex ratio. Ag-containing sponge without <i>copaiba</i> exhibited the highest degree of water uptake, whereas increasing <i>copaiba</i> concentrations progressively reduced swelling due to enhanced hydrophobicity and structural compaction. In vitro release assays showed a burst release of the metallic complex from the sponges, providing early antimicrobial availability, whereas <i>copaiba</i> oleoresin exhibited a controlled release profile. Both <i>copaiba</i> oleoresin and the metallic complex showed significant activity against <i>Staphylococcus aureus</i> and <i>Escherichia coli</i>. In silico ADME predictions indicated favorable safety and pharmacokinetic profiles for topical application, with limited systemic permeation of the metallic complex and controlled dermal interaction of <i>copaiba</i> constituents. Molecular docking analyses suggest that copalic acid, β-caryophyllene, and the [Ag(NA)<sub>2</sub>]NO<sub>3</sub>·H<sub>2</sub>O complex interact with the selected macromolecular targets through distinct and complementary mechanisms.</p>

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Copaiba (Copaifera spp.) Oleoresin – composed Biopolymeric Sponges Loading [Ag(NA)2]NO3·H2O Complex for Wound Dressing: Production, Physicochemical Characterization, In Silico Pharmacokinetics and Molecular Docking

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年6月22日

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  • Marinaldo V. de Souza Junior,
  • Jad L. F. Simplicio,
  • Erika S. Lisboa,
  • Victoria L. S. dos Santos,
  • Letícia Kakuda,
  • Wildeane N. Silva,
  • Richard P. Dutra,
  • Adenilson O. dos Santos,
  • Francisco F. de Sousa,
  • Eliana B. Souto

摘要

Hybrid biopolymeric sponges based on sodium alginate (SA) and bovine gelatin (BG) (1:3, w/w), incorporating copaiba oleoresin (1–3%, w/w) and the [Ag(NA)2]NO3·H2O complex (5%, w/w), were developed and evaluated as candidate wound dressing materials. Three-dimensional porous sponges were produced by lyophilization. X-ray diffraction (XRD) revealed predominantly amorphous structures with discrete crystalline domains attributed to the metallic complex, whose intensity increased with higher copaiba content. Fourier-transform infrared (FT-IR) spectroscopy confirmed the presence of characteristic functional groups, suggesting physical interactions between polymeric matrix, copaiba, and Ag(I). Scanning electron microscopy (SEM) showed that increasing copaiba concentrations promoted denser and rougher features, while energy-dispersive X-ray spectroscopy (EDS) confirmed the homogeneous distribution of Ag within the SA/BG matrix. Mechanical analysis confirmed that the sponges’ hardness is modulated by copaiba and metallic complex ratio. Ag-containing sponge without copaiba exhibited the highest degree of water uptake, whereas increasing copaiba concentrations progressively reduced swelling due to enhanced hydrophobicity and structural compaction. In vitro release assays showed a burst release of the metallic complex from the sponges, providing early antimicrobial availability, whereas copaiba oleoresin exhibited a controlled release profile. Both copaiba oleoresin and the metallic complex showed significant activity against Staphylococcus aureus and Escherichia coli. In silico ADME predictions indicated favorable safety and pharmacokinetic profiles for topical application, with limited systemic permeation of the metallic complex and controlled dermal interaction of copaiba constituents. Molecular docking analyses suggest that copalic acid, β-caryophyllene, and the [Ag(NA)2]NO3·H2O complex interact with the selected macromolecular targets through distinct and complementary mechanisms.