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<p>Green silver nanoparticles (AgNPs) were successfully prepared by the reducing and stabilizing action of the <i>Terminalia arjuna</i> stem bark (TASB) extract. The formation of nanoparticles was established by the surface plasmon resonance band at 510&#xa0;nm and the FTIR spectrum, which revealed phytochemical capping interactions. Electron microscopy images revealed well-dispersed spherical nanoparticles with a size range of 20–40&#xa0;nm, and EDX confirmed the presence of silver as the major component. TASB-AgNPs exhibited pronounced antimicrobial, antifungal, and antioxidant activities. Against A549 lung carcinoma cells, the nanoparticles exhibited significant cytotoxicity, which was primarily due to apoptosis. DFT calculations revealed a very small HOMO-LUMO gap of 0.0331&#xa0;eV, which indicated high electronic softness and good charge transfer potential. Docking analysis revealed weak but complementary interactions with BCL-2, KEAP1, and KRAS targets. Taken together, the findings suggest that TASB-AgNPs exhibit multifaceted biomedical properties due to interfacial phytochemical-nanoparticle interactions.</p>

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Computationally Reinforced Green Synthesis of Terminalia arjuna–Derived Silver Nanoparticles for Biomedical Applications

  • 期刊论文

  • 发表日期：

    2026年3月26日

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  • Jagadevi Shivaputrappa,
  • Seema Tiwari,
  • Ketankumar A. Ganure,
  • Sneha R. Chandani,
  • Manvinder Kaur,
  • Anita Sharma,
  • Sharanabasava V. Ganachari

摘要

Green silver nanoparticles (AgNPs) were successfully prepared by the reducing and stabilizing action of the Terminalia arjuna stem bark (TASB) extract. The formation of nanoparticles was established by the surface plasmon resonance band at 510 nm and the FTIR spectrum, which revealed phytochemical capping interactions. Electron microscopy images revealed well-dispersed spherical nanoparticles with a size range of 20–40 nm, and EDX confirmed the presence of silver as the major component. TASB-AgNPs exhibited pronounced antimicrobial, antifungal, and antioxidant activities. Against A549 lung carcinoma cells, the nanoparticles exhibited significant cytotoxicity, which was primarily due to apoptosis. DFT calculations revealed a very small HOMO-LUMO gap of 0.0331 eV, which indicated high electronic softness and good charge transfer potential. Docking analysis revealed weak but complementary interactions with BCL-2, KEAP1, and KRAS targets. Taken together, the findings suggest that TASB-AgNPs exhibit multifaceted biomedical properties due to interfacial phytochemical-nanoparticle interactions.