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<p>A sustainable polyherbal nanotechnology platform derived from <i>Allium sativum</i> and <i>Acorus calamus</i> was developed for multifunctional biomedical and environmental applications aligned with the United Nations Sustainable Development Goals (SDGs 3, 6 and 12). UV–Visible spectroscopy confirmed nanoparticle formation with a characteristic surface plasmon resonance peak at ~ 430&#xa0;nm, suggesting the formation of stable spherical nanoparticles. GC–MS analysis identified 23 phytoconstituents, with β-asarone as the predominant compound (55.21%), followed by 2-vinylfuran (9.92%) and bis(trimethylsilyl)methylphosphonate (3.48%). FTIR spectra demonstrated functional groups, including hydroxyl, carbonyl, aromatic, and ether groups involved in nanoparticle reduction and stabilization. Morphological characterization by AFM and SEM revealed heterogeneous quasi-spherical nanoparticles with porous hierarchical architecture and nanoscale surface asperities (100–300&#xa0;nm). Density Functional Theory (DFT) calculations for β-asarone showed HOMO and LUMO energies of − 5.07&#xa0;eV and − 0.52&#xa0;eV, respectively, with a band gap of 4.55&#xa0;eV, indicating high reactivity and electron-donating potential. Molecular docking analysis revealed a strong interaction of β-asarone with cyclin-dependent kinase-5 (CDK5), involving key residues Lys33, Phe80, Glu81, Val18, and Asn144 within the ATP-binding pocket. Antioxidant analysis using the phosphomolybdenum assay demonstrated enhanced activity of AgCl-NPs (absorbance = 0.102), which was approximately 5.17-fold higher than the crude extract (0.0197). Antibacterial assays showed concentration-dependent inhibition against <i>Escherichia coli</i> (9–21&#xa0;mm), <i>Bacillus subtilis</i> (12–24&#xa0;mm), and <i>Vibrio cholerae</i> (8–20&#xa0;mm). Ecotoxicological evaluation using the earthworm <i>Eudrilus eugeniae</i> revealed comparatively lower toxicity of AgCl-NPs (LC₅₀ = 28.75&#xa0;mg kg⁻¹) compared to synthetic pesticides such as deltamethrin (LC₅₀ = 3.42&#xa0;mg kg⁻¹). Additionally, the polyherbal extract exhibited potent larvicidal activity against mosquito larvae, with mortality increasing from 3.06% at 0.5&#xa0;mg L⁻¹ to 94.9% at 4.5&#xa0;mg L⁻¹. These findings demonstrate that the dual-herbal extract acts as an efficient bio-reductant and functionalizing agent for nanoparticle synthesis, producing multifunctional AgCl-NPs with enhanced antioxidant, antimicrobial, and eco-friendly pesticidal properties, highlighting their potential for applications in nanomedicine, environmental management, and vector control.</p>

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Dual-Extract Driven AgCl Nanoparticles (AgCl-NP): Mechanistic Insights into Bioactivity, Ecotoxicity, and Targeted Molecular Interactions

  • 期刊论文

  • 发表日期：

    2026年4月10日

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  • Nagarajan Kalimuthua,
  • S. Subashchandrabose,
  • C. Meganathan

摘要

A sustainable polyherbal nanotechnology platform derived from Allium sativum and Acorus calamus was developed for multifunctional biomedical and environmental applications aligned with the United Nations Sustainable Development Goals (SDGs 3, 6 and 12). UV–Visible spectroscopy confirmed nanoparticle formation with a characteristic surface plasmon resonance peak at ~ 430 nm, suggesting the formation of stable spherical nanoparticles. GC–MS analysis identified 23 phytoconstituents, with β-asarone as the predominant compound (55.21%), followed by 2-vinylfuran (9.92%) and bis(trimethylsilyl)methylphosphonate (3.48%). FTIR spectra demonstrated functional groups, including hydroxyl, carbonyl, aromatic, and ether groups involved in nanoparticle reduction and stabilization. Morphological characterization by AFM and SEM revealed heterogeneous quasi-spherical nanoparticles with porous hierarchical architecture and nanoscale surface asperities (100–300 nm). Density Functional Theory (DFT) calculations for β-asarone showed HOMO and LUMO energies of − 5.07 eV and − 0.52 eV, respectively, with a band gap of 4.55 eV, indicating high reactivity and electron-donating potential. Molecular docking analysis revealed a strong interaction of β-asarone with cyclin-dependent kinase-5 (CDK5), involving key residues Lys33, Phe80, Glu81, Val18, and Asn144 within the ATP-binding pocket. Antioxidant analysis using the phosphomolybdenum assay demonstrated enhanced activity of AgCl-NPs (absorbance = 0.102), which was approximately 5.17-fold higher than the crude extract (0.0197). Antibacterial assays showed concentration-dependent inhibition against Escherichia coli (9–21 mm), Bacillus subtilis (12–24 mm), and Vibrio cholerae (8–20 mm). Ecotoxicological evaluation using the earthworm Eudrilus eugeniae revealed comparatively lower toxicity of AgCl-NPs (LC₅₀ = 28.75 mg kg⁻¹) compared to synthetic pesticides such as deltamethrin (LC₅₀ = 3.42 mg kg⁻¹). Additionally, the polyherbal extract exhibited potent larvicidal activity against mosquito larvae, with mortality increasing from 3.06% at 0.5 mg L⁻¹ to 94.9% at 4.5 mg L⁻¹. These findings demonstrate that the dual-herbal extract acts as an efficient bio-reductant and functionalizing agent for nanoparticle synthesis, producing multifunctional AgCl-NPs with enhanced antioxidant, antimicrobial, and eco-friendly pesticidal properties, highlighting their potential for applications in nanomedicine, environmental management, and vector control.