In silico mechanistic insights of ecofriendly synthesized AgNPs, SeNPs, rGO and Ag&SeNPs@rGONM's for biological applications and its toxicity evaluation using Artemia salina

The present study focused on Rosmarinus officinalis Linn. leaves extract (ROE) mediated synthesis of silver nanoparticles (AgNPs), selenium nanoparticles (SeNPs), reduced graphene oxide (rGO) and silver and selenium nanoparticles decorated on rGO nanomaterials (Ag&SeNPs@rGONM's) for its ant...

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Veröffentlicht in:Chemosphere (Oxford) 2024-09, Vol.364, p.143159, Article 143159
Hauptverfasser: Krishnaraj, Chandran, Asmare, Misgana Mengistu, Yoon, June-Sun, Yun, Soon-Il
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Sprache:eng
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Zusammenfassung:The present study focused on Rosmarinus officinalis Linn. leaves extract (ROE) mediated synthesis of silver nanoparticles (AgNPs), selenium nanoparticles (SeNPs), reduced graphene oxide (rGO) and silver and selenium nanoparticles decorated on rGO nanomaterials (Ag&SeNPs@rGONM's) for its antibacterial and antifungal in silico mechanistic insight applications. In addition, the toxicity of the synthesized nanomaterials was evaluated using Artemia salina. The formation of AgNPs, SeNPs, rGO and Ag&SeNPs@rGONM's was completed within 1.0, 140, 120 and 144 h, respectively. Various optical and microscopic examinations were evident in the nanomaterial's synthesis. Further, the average size and stability of the synthesized nanomaterials were conformed through dynamic light scattering (DLS) and zeta potential analyzer, respectively. The synthesized Ag&SeNPs@rGONM's were pronounced promising results against Gram-negative bacteria of Escherichia coli and the results achieved from the route of entry and action, reactive oxygen species (ROS), and antioxidant nature of nanoparticles were evidence of its properties. Computational studies further supported these findings, indicating much of the phytochemicals present in ROE well interact with the bacterial surface proteins. Similarly, the synthesized Ag&SeNPs@rGONM's was effective against Fusarium graminearum and Alternaria alternata in a dose dependent manner than its original nanomaterials. In addition, the docking study also confirmed that rosmarinic acid and caffeic acid prominently interacted with the fungal proteins. Interestingly, Ag&SeNPs@rGONM's pronounced less toxic effect compared to AgNPs and SeNPs against Artemia salina, which shows its biocompatibility. [Display omitted] •In this study, AgNPs, SeNPs, rGO and Ag&SeNPs@rGONM's were prepared.•AgNPs, SeNPs and Ag&SeNPs@rGONM's showed good antibacterial and antifungal activities.•AgNPs and SeNPs showed higher toxicity to Artemia salina even at lower concentration.•In case of Ag&SeNPs@rGONM's, the toxic effects of AgNPs and SeNPs were significantly reduced by rGO.•Insilico studies evident the interaction of phytochemicals from ROE with specific protein targets.
ISSN:0045-6535
1879-1298
1879-1298
DOI:10.1016/j.chemosphere.2024.143159