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<p>Copper oxide nanoparticles have attracted considerable attention due to their notable roles in catalysis, sensing technologies, and biomedical research. In the present work, copper oxide nanoparticles (CuONPs) were prepared through a green synthetic strategy employing aqueous extracts of <i>Azadirachta indica</i> and <i>Aloe vera</i> as natural reducing and capping agents. This plant-assisted approach offers an eco-friendly, economical, and sustainable substitute for traditional chemical synthesis routes that often involve hazardous reagents. Comprehensive characterization techniques were used to confirm nanoparticle formation and evaluate their properties. FTIR analysis showed a distinct Cu–O stretching band near 542&#xa0;cm<sup>− 1</sup>, verifying the formation of copper oxide. XRD patterns confirmed the crystalline nature of the particles, with an average crystallite size of about 26.3&#xa0;nm. Microscopic studies (SEM and TEM) revealed nanoscale particles mainly distributed between 20 and 50&#xa0;nm with an average particle size of approximately 34&#xa0;nm. Elemental analysis by EDX verified copper and oxygen as the dominant elements, with weight percentages of 77.51% and 22.49%, respectively, confirming the successful formation of CuONPs, while Zeta potential measurements revealed a zeta potential value of 4.93 mV with a polydispersity index (PDI) of 0.454, indicating moderate colloidal stability and a relatively broad particle size distribution of the synthesized CuONPs. Biological investigations demonstrated strong activity, with over 70% inhibition observed in antioxidant and anti-inflammatory assays at higher concentrations. Additionally, CuONPs exhibited highest antimicrobial activity against <i>B. subtilis</i> with zone of inhibition 23 ± 0.6&#xa0;mm. Theoretical studies using density functional theory and molecular docking supported the experimental findings. Collectively, the study highlights the promising biomedical potential of green-synthesized CuONPs.</p>

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Phytochemical-mediated green synthesis, mechanistic insights integrated with biological evaluation, density functional theory calculations and molecular docking studies of copper oxide nanoparticles

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年6月19日

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  • Annu Devi,
  • Madhu,
  • Ashu Chaudhary

摘要

Copper oxide nanoparticles have attracted considerable attention due to their notable roles in catalysis, sensing technologies, and biomedical research. In the present work, copper oxide nanoparticles (CuONPs) were prepared through a green synthetic strategy employing aqueous extracts of Azadirachta indica and Aloe vera as natural reducing and capping agents. This plant-assisted approach offers an eco-friendly, economical, and sustainable substitute for traditional chemical synthesis routes that often involve hazardous reagents. Comprehensive characterization techniques were used to confirm nanoparticle formation and evaluate their properties. FTIR analysis showed a distinct Cu–O stretching band near 542 cm− 1, verifying the formation of copper oxide. XRD patterns confirmed the crystalline nature of the particles, with an average crystallite size of about 26.3 nm. Microscopic studies (SEM and TEM) revealed nanoscale particles mainly distributed between 20 and 50 nm with an average particle size of approximately 34 nm. Elemental analysis by EDX verified copper and oxygen as the dominant elements, with weight percentages of 77.51% and 22.49%, respectively, confirming the successful formation of CuONPs, while Zeta potential measurements revealed a zeta potential value of 4.93 mV with a polydispersity index (PDI) of 0.454, indicating moderate colloidal stability and a relatively broad particle size distribution of the synthesized CuONPs. Biological investigations demonstrated strong activity, with over 70% inhibition observed in antioxidant and anti-inflammatory assays at higher concentrations. Additionally, CuONPs exhibited highest antimicrobial activity against B. subtilis with zone of inhibition 23 ± 0.6 mm. Theoretical studies using density functional theory and molecular docking supported the experimental findings. Collectively, the study highlights the promising biomedical potential of green-synthesized CuONPs.