Novel Copper Oxide Bio-Nanocrystals to Target Outer Membrane Lectin of Vancomycin-Resistant Enterococcus faecium (VREfm): In Silico, Bioavailability, Antimicrobial, and Anticancer Potential

Mahmoud Kandeel; Mohamed Sharaf; Arshad Mahdi Hamad; Ahmad O. Babalghith; Mohnad Abdalla; Muhammad Arif; Reem Binsuwaidan; Nashwah G. M. Attallah; Hossam Aladl Aladl Aladl; Samy Selim; Mariusz Jaremko

doi:10.3390/molecules27227957

Novel Copper Oxide Bio-Nanocrystals to Target Outer Membrane Lectin of Vancomycin-Resistant Enterococcus faecium (VREfm): In Silico, Bioavailability, Antimicrobial, and Anticancer Potential

Mahmoud Kandeel, Mohamed Sharaf, Arshad Mahdi Hamad, Ahmad O. Babalghith, Mohnad Abdalla, Muhammad Arif, Reem Binsuwaidan, Nashwah G. M. Attallah, Hossam Aladl Aladl Aladl, Samy Selim, Mariusz Jaremko

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Abstract

In present study, we used Olea europaea leaf extract to biosynthesize in situ Copper Oxide nanocrystals (CuO @OVLe NCs) with powerful antibacterial and anti-cancer capabilities. Physio-chemical analyses, such as UV/Vis, FTIR, XRD, EDX, SEM, and TEM, were applied to characterize CuO @OVLe NCs. The UV/Vis spectrum demonstrated a strong peak at 345 nm. Furthermore, FTIR, XRD, and EDX validated the coating operation’s contact with colloidal CuO @OVLe NCs. According to TEM and SEM analyses, CuO @OVLe NCs exhibited a spherical shape and uniform distribution of size with aggregation, for an average size of ~75 nm. The nanoparticles demonstrated a considerable antibacterial effect against E. faecium bacterial growth, as well as an increased inhibition rate in a dose-dependent manner on the MCF-7, PC3, and HpeG2 cancer cell lines and a decreased inhibition rate on WRL-68. Molecular docking and MD simulation were used to demonstrate the high binding affinity of a ligand (Oleuropein) toward the lectin receptor complex of the outer membrane to vancomycin-resistant E. faecium (VREfm) via amino acids (Leu 195, Thr 288, His 165, and Ser 196). Hence, our results expand the accessibility of OVLe’s bioactive components as a promising natural source for the manufacture of physiologically active components and the creation of green biosynthesis of metal nanocrystals.

Original language	English (US)
Journal	Molecules
DOIs	https://doi.org/10.3390/molecules27227957
State	Published - Nov 17 2022

Bibliographical note

KAUST Repository Item: Exported on 2022-11-18
Acknowledgements: This research was funded by Princess Nourah bint Abdulrahman University Researchers Supporting Project number (PNURSP2022R65), Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia. This work was also supported by the Deanship of Scientific Research, Vice Presidency for Graduate Studies and Scientific Research, King Faisal University, Saudi Arabia (Project# GRANT1889). The research was also supported by the Faculty of Medicine, Al-Azhar University, Egypt. The authors extend their appreciation to Princess Nourah bint Abdulrahman University for funding this work through Researchers Supporting Project number (PNURSP2022R304), Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia. The authors also extend their appreciation to the Deanship of Scientific Research, Vice Presidency for Graduate Studies and Scientific Research, King Faisal University, Saudi Arabia (Project# GRANT1889).

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10.3390/molecules27227957

https://repository.kaust.edu.sa/bitstream/10754/685833/1/molecules-27-07957.pdf

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Kandeel, M., Sharaf, M., Hamad, A. M., Babalghith, A. O., Abdalla, M., Arif, M., Binsuwaidan, R., Attallah, N. G. M., Aladl, H. A. A., Selim, S., & Jaremko, M. (2022). Novel Copper Oxide Bio-Nanocrystals to Target Outer Membrane Lectin of Vancomycin-Resistant Enterococcus faecium (VREfm): In Silico, Bioavailability, Antimicrobial, and Anticancer Potential. Molecules. https://doi.org/10.3390/molecules27227957

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title = "Novel Copper Oxide Bio-Nanocrystals to Target Outer Membrane Lectin of Vancomycin-Resistant Enterococcus faecium (VREfm): In Silico, Bioavailability, Antimicrobial, and Anticancer Potential",

abstract = "In present study, we used Olea europaea leaf extract to biosynthesize in situ Copper Oxide nanocrystals (CuO @OVLe NCs) with powerful antibacterial and anti-cancer capabilities. Physio-chemical analyses, such as UV/Vis, FTIR, XRD, EDX, SEM, and TEM, were applied to characterize CuO @OVLe NCs. The UV/Vis spectrum demonstrated a strong peak at 345 nm. Furthermore, FTIR, XRD, and EDX validated the coating operation{\textquoteright}s contact with colloidal CuO @OVLe NCs. According to TEM and SEM analyses, CuO @OVLe NCs exhibited a spherical shape and uniform distribution of size with aggregation, for an average size of ~75 nm. The nanoparticles demonstrated a considerable antibacterial effect against E. faecium bacterial growth, as well as an increased inhibition rate in a dose-dependent manner on the MCF-7, PC3, and HpeG2 cancer cell lines and a decreased inhibition rate on WRL-68. Molecular docking and MD simulation were used to demonstrate the high binding affinity of a ligand (Oleuropein) toward the lectin receptor complex of the outer membrane to vancomycin-resistant E. faecium (VREfm) via amino acids (Leu 195, Thr 288, His 165, and Ser 196). Hence, our results expand the accessibility of OVLe{\textquoteright}s bioactive components as a promising natural source for the manufacture of physiologically active components and the creation of green biosynthesis of metal nanocrystals.",

author = "Mahmoud Kandeel and Mohamed Sharaf and Hamad, {Arshad Mahdi} and Babalghith, {Ahmad O.} and Mohnad Abdalla and Muhammad Arif and Reem Binsuwaidan and Attallah, {Nashwah G. M.} and Aladl, {Hossam Aladl Aladl} and Samy Selim and Mariusz Jaremko",

note = "KAUST Repository Item: Exported on 2022-11-18 Acknowledgements: This research was funded by Princess Nourah bint Abdulrahman University Researchers Supporting Project number (PNURSP2022R65), Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia. This work was also supported by the Deanship of Scientific Research, Vice Presidency for Graduate Studies and Scientific Research, King Faisal University, Saudi Arabia (Project# GRANT1889). The research was also supported by the Faculty of Medicine, Al-Azhar University, Egypt. The authors extend their appreciation to Princess Nourah bint Abdulrahman University for funding this work through Researchers Supporting Project number (PNURSP2022R304), Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia. The authors also extend their appreciation to the Deanship of Scientific Research, Vice Presidency for Graduate Studies and Scientific Research, King Faisal University, Saudi Arabia (Project# GRANT1889).",

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month = nov,

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doi = "10.3390/molecules27227957",

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Kandeel, M, Sharaf, M, Hamad, AM, Babalghith, AO, Abdalla, M, Arif, M, Binsuwaidan, R, Attallah, NGM, Aladl, HAA, Selim, S & Jaremko, M 2022, 'Novel Copper Oxide Bio-Nanocrystals to Target Outer Membrane Lectin of Vancomycin-Resistant Enterococcus faecium (VREfm): In Silico, Bioavailability, Antimicrobial, and Anticancer Potential', Molecules. https://doi.org/10.3390/molecules27227957

TY - JOUR

T1 - Novel Copper Oxide Bio-Nanocrystals to Target Outer Membrane Lectin of Vancomycin-Resistant Enterococcus faecium (VREfm): In Silico, Bioavailability, Antimicrobial, and Anticancer Potential

AU - Kandeel, Mahmoud

AU - Sharaf, Mohamed

AU - Hamad, Arshad Mahdi

AU - Babalghith, Ahmad O.

AU - Abdalla, Mohnad

AU - Arif, Muhammad

AU - Binsuwaidan, Reem

AU - Attallah, Nashwah G. M.

AU - Aladl, Hossam Aladl Aladl

AU - Selim, Samy

AU - Jaremko, Mariusz

N1 - KAUST Repository Item: Exported on 2022-11-18 Acknowledgements: This research was funded by Princess Nourah bint Abdulrahman University Researchers Supporting Project number (PNURSP2022R65), Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia. This work was also supported by the Deanship of Scientific Research, Vice Presidency for Graduate Studies and Scientific Research, King Faisal University, Saudi Arabia (Project# GRANT1889). The research was also supported by the Faculty of Medicine, Al-Azhar University, Egypt. The authors extend their appreciation to Princess Nourah bint Abdulrahman University for funding this work through Researchers Supporting Project number (PNURSP2022R304), Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia. The authors also extend their appreciation to the Deanship of Scientific Research, Vice Presidency for Graduate Studies and Scientific Research, King Faisal University, Saudi Arabia (Project# GRANT1889).

PY - 2022/11/17

Y1 - 2022/11/17

N2 - In present study, we used Olea europaea leaf extract to biosynthesize in situ Copper Oxide nanocrystals (CuO @OVLe NCs) with powerful antibacterial and anti-cancer capabilities. Physio-chemical analyses, such as UV/Vis, FTIR, XRD, EDX, SEM, and TEM, were applied to characterize CuO @OVLe NCs. The UV/Vis spectrum demonstrated a strong peak at 345 nm. Furthermore, FTIR, XRD, and EDX validated the coating operation’s contact with colloidal CuO @OVLe NCs. According to TEM and SEM analyses, CuO @OVLe NCs exhibited a spherical shape and uniform distribution of size with aggregation, for an average size of ~75 nm. The nanoparticles demonstrated a considerable antibacterial effect against E. faecium bacterial growth, as well as an increased inhibition rate in a dose-dependent manner on the MCF-7, PC3, and HpeG2 cancer cell lines and a decreased inhibition rate on WRL-68. Molecular docking and MD simulation were used to demonstrate the high binding affinity of a ligand (Oleuropein) toward the lectin receptor complex of the outer membrane to vancomycin-resistant E. faecium (VREfm) via amino acids (Leu 195, Thr 288, His 165, and Ser 196). Hence, our results expand the accessibility of OVLe’s bioactive components as a promising natural source for the manufacture of physiologically active components and the creation of green biosynthesis of metal nanocrystals.

AB - In present study, we used Olea europaea leaf extract to biosynthesize in situ Copper Oxide nanocrystals (CuO @OVLe NCs) with powerful antibacterial and anti-cancer capabilities. Physio-chemical analyses, such as UV/Vis, FTIR, XRD, EDX, SEM, and TEM, were applied to characterize CuO @OVLe NCs. The UV/Vis spectrum demonstrated a strong peak at 345 nm. Furthermore, FTIR, XRD, and EDX validated the coating operation’s contact with colloidal CuO @OVLe NCs. According to TEM and SEM analyses, CuO @OVLe NCs exhibited a spherical shape and uniform distribution of size with aggregation, for an average size of ~75 nm. The nanoparticles demonstrated a considerable antibacterial effect against E. faecium bacterial growth, as well as an increased inhibition rate in a dose-dependent manner on the MCF-7, PC3, and HpeG2 cancer cell lines and a decreased inhibition rate on WRL-68. Molecular docking and MD simulation were used to demonstrate the high binding affinity of a ligand (Oleuropein) toward the lectin receptor complex of the outer membrane to vancomycin-resistant E. faecium (VREfm) via amino acids (Leu 195, Thr 288, His 165, and Ser 196). Hence, our results expand the accessibility of OVLe’s bioactive components as a promising natural source for the manufacture of physiologically active components and the creation of green biosynthesis of metal nanocrystals.

UR - http://hdl.handle.net/10754/685833

UR - https://www.mdpi.com/1420-3049/27/22/7957

U2 - 10.3390/molecules27227957

DO - 10.3390/molecules27227957

M3 - Article

C2 - 36432057

JO - Molecules

JF - Molecules

ER -

Novel Copper Oxide Bio-Nanocrystals to Target Outer Membrane Lectin of Vancomycin-Resistant Enterococcus faecium (VREfm): In Silico, Bioavailability, Antimicrobial, and Anticancer Potential

Abstract

Bibliographical note

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