Computational approach to attenuate virulence of Pseudomonas aeruginosa through bioinspired silver nanoparticles

In this study we aim to investigate the computational docking approach of biofabricated silver nanoparticles against P. aeruginosa virulent exoenzymes, such as ExoS and ExoY. Therefore, the synthesis and characterization of biofabricated silver nanoparticles using Piper betle leaves (Pb-AgNPs) were...

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Bibliographic Details
Published in:3 Biotech 2022-11, Vol.12 (11), p.317-317, Article 317
Main Authors: Sangeet, Satyam, Pawar, Sarika, Nawani, Neelu, Junnarkar, Manisha, Gaikwad, Swapnil
Format: Article
Language:English
Subjects:
Agriculture
Antiinfectives and antibacterials
Bioactive compounds
Bioinformatics
Biomaterials
Biotechnology
Cancer Research
Chemistry
Chemistry and Materials Science
Computer applications
Docking
Eugenol
Fourier transforms
Functional groups
Infrared analysis
Infrared spectroscopy
Nanoparticles
Nanotechnology
Original
Original Article
Piper betle
Pseudomonas aeruginosa
Scanning electron microscopy
Silver
Spectrum analysis
Stem Cells
Topology
Virulence
X-ray diffraction
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Summary:In this study we aim to investigate the computational docking approach of biofabricated silver nanoparticles against P. aeruginosa virulent exoenzymes, such as ExoS and ExoY. Therefore, the synthesis and characterization of biofabricated silver nanoparticles using Piper betle leaves (Pb-AgNPs) were carried out. The surface topology and functional group attachment on the surface of Pb-AgNPs were analyzed using UV–visible spectroscopy, Scanning Electron Microscopy, Fourier Transformed Infrared Spectroscopy (FTIR), and X-Ray Diffraction. The FTIR analysis revealed that the synthesized silver nanoparticles were capped with P. betle phytochemicals importantly Eugenol and Hydroxychavicol. These are the major bioactive compounds present in P. betle leaves; therefore, computational docking of Eugenol-conjugated AgNPs (PbEu-AgNPs) and Hydroxychavicol-conjugated AgNPs (PbHy-AgNPs) against ExoS and ExoY was performed. The active residues of PbEu-AgNPs and PbHy-AgNPs interacted with the active site of ExoS and ExoY exoenzymes. Biofabricated AgNP-mediated inhibition of these virulent exoenzymes blocked the adverse effect of P. aeruginosa on the host cell. The computational analysis provides new approach into the design of biofabricated AgNPs as promising anti-infective nanomedicine agents.
ISSN:2190-572X
2190-5738
DOI:10.1007/s13205-022-03367-0