Novel Copper Oxide Bio-Nanocrystals to Target Outer Membrane Lectin of Vancomycin-Resistant IEnterococcus faecium/I : In Silico, Bioavailability, Antimicrobial, and Anticancer Potential

• Published in: Molecules (Basel, Switzerland) Switzerland), 2022-11, Vol.27 (22)
• Main Authors: Kandeel, Mahmoud, Sharaf, Mohamed, Hamad, Arshad Mahdi, O. Babalghith, Ahmad, Abdalla, Mohnad, Arif, Muhammad, Binsuwaidan, Reem, G. M. Attallah, Nashwah, Aladl Aladl Aladl, Hossam, Selim, Samy, Jaremko, Mariusz
• Format: Article
• Language: English
• Subjects: Analysis; Cancer; Care and treatment; Coatings; Copper oxide; Cuprite; Drug resistance in microorganisms; Lectins; Medicine, Botanic; Medicine, Herbal; Physiological aspects; Vancomycin
• ISSN: 1420-3049; 1420-3049
• DOI: 10.3390/molecules27227957

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.