A comprehensive study on characterization of biosynthesized copper-oxide nanoparticles, their capabilities as anticancer and antibacterial agents, and predicting optimal docking poses into the cavity of S. aureus DHFR DOI Creative Commons
Ehab S. Gad, Salem S. Salem, Samy Selim

et al.

PLoS ONE, Journal Year: 2025, Volume and Issue: 20(4), P. e0319791 - e0319791

Published: April 1, 2025

The eco-friendly method of producing copperـoxide nanoparticles through the use okra fruit extract is a simple, economical, rapid, and sustainable technique. resultant (CuO NP) were analyzed with several analytical methods, such as UV-vis spectroscopy, FourierـTransform Infrared Spectroscopy (FT-IR), X-Ray Diffraction (XRD), Zeta potential, TransmissionـElectron Microscopy (TEM) EnergyـDispersive X-ray (EDX) analysis. CuO NP exhibited maximum absorbance at 381 nm. formation was further confirmed by characteristic bands observed 534 588 cm -1 . monoclinic structure identified prominent peaks detected 2θ values 32.47°, 35.43°, 38.64°, 48.68°, 53.38°, 58.14°, 61.39°, 66.11°, 67.82°, 72.27°, 74.96°. overall findings indicate that had an average diameter in approximate range 10 to 30 nm based on TEM cytotoxicity study, conducted Human Fibroblast normal HFB4 cell lines, indicated halfـmaximal inhibitory concentration (IC50) dose 236.34 μg/mL. An IC50 109.46 μg/mL found antitumor effect studies using breast adenocarcinoma Mcf- 7 revealing good level safety for NP. According antibacterial Staphylococcus aureus Bacillus cereus inhibition zone diameters (IZDs) 29.5 ± 0.7 mm 24.6 1.2 mm, respectively, making them most vulnerable bacteria In contrast, P. aeruginosa least sensitive strain, minimum IZD 15 1.6 mm. Compared gram-negative infections, NPs have significantly higher effectiveness versus Gram -positive pathogens. Molecular docking against dihydrofolate reductase (DHFR) (PDB ID: 6P9Z) illustrated partially interlocked active site 6P9Z fitting energy value -44.93 kcal/mol five classical hydrogen bonds Ala7, Gln9, Thr46, Ser49, Phe92. last one also generated marketing antifolate agent methotrexate (MTX), adding some MTX-like character inhibitor.

Language: Английский

A comprehensive study on characterization of biosynthesized copper-oxide nanoparticles, their capabilities as anticancer and antibacterial agents, and predicting optimal docking poses into the cavity of S. aureus DHFR DOI Creative Commons
Ehab S. Gad, Salem S. Salem, Samy Selim

et al.

PLoS ONE, Journal Year: 2025, Volume and Issue: 20(4), P. e0319791 - e0319791

Published: April 1, 2025

The eco-friendly method of producing copperـoxide nanoparticles through the use okra fruit extract is a simple, economical, rapid, and sustainable technique. resultant (CuO NP) were analyzed with several analytical methods, such as UV-vis spectroscopy, FourierـTransform Infrared Spectroscopy (FT-IR), X-Ray Diffraction (XRD), Zeta potential, TransmissionـElectron Microscopy (TEM) EnergyـDispersive X-ray (EDX) analysis. CuO NP exhibited maximum absorbance at 381 nm. formation was further confirmed by characteristic bands observed 534 588 cm -1 . monoclinic structure identified prominent peaks detected 2θ values 32.47°, 35.43°, 38.64°, 48.68°, 53.38°, 58.14°, 61.39°, 66.11°, 67.82°, 72.27°, 74.96°. overall findings indicate that had an average diameter in approximate range 10 to 30 nm based on TEM cytotoxicity study, conducted Human Fibroblast normal HFB4 cell lines, indicated halfـmaximal inhibitory concentration (IC50) dose 236.34 μg/mL. An IC50 109.46 μg/mL found antitumor effect studies using breast adenocarcinoma Mcf- 7 revealing good level safety for NP. According antibacterial Staphylococcus aureus Bacillus cereus inhibition zone diameters (IZDs) 29.5 ± 0.7 mm 24.6 1.2 mm, respectively, making them most vulnerable bacteria In contrast, P. aeruginosa least sensitive strain, minimum IZD 15 1.6 mm. Compared gram-negative infections, NPs have significantly higher effectiveness versus Gram -positive pathogens. Molecular docking against dihydrofolate reductase (DHFR) (PDB ID: 6P9Z) illustrated partially interlocked active site 6P9Z fitting energy value -44.93 kcal/mol five classical hydrogen bonds Ala7, Gln9, Thr46, Ser49, Phe92. last one also generated marketing antifolate agent methotrexate (MTX), adding some MTX-like character inhibitor.

Language: Английский

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