Biosynthesis and activity of Zn-MnO nanocomposite in vitro with molecular docking studies against multidrug resistance bacteria and inflammatory activators
Abstract This study investigated the green synthesis of Zn-MnO nanocomposites via the fungus Penicillium rubens. Herein, the synthesized Zn-MnO nanocomposites were confirmed by UV-spectrophotometry with a top peak (370 nm). Transmission electron microscopy confirmed irregular particles with a spheri...
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Nature Portfolio
2025-01-01
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| Online Access: | https://doi.org/10.1038/s41598-024-85005-8 |
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| author | Samy Selim Tarek M. Abdelghany Mohammed S. Almuhayawi Mohammed K. Nagshabandi Muyassar K. Tarabulsi Mohammed Yagoub Mohammed Elamir Asmaa A. Alharbi Soad K. Al Jaouni |
| author_facet | Samy Selim Tarek M. Abdelghany Mohammed S. Almuhayawi Mohammed K. Nagshabandi Muyassar K. Tarabulsi Mohammed Yagoub Mohammed Elamir Asmaa A. Alharbi Soad K. Al Jaouni |
| author_sort | Samy Selim |
| collection | DOAJ |
| description | Abstract This study investigated the green synthesis of Zn-MnO nanocomposites via the fungus Penicillium rubens. Herein, the synthesized Zn-MnO nanocomposites were confirmed by UV-spectrophotometry with a top peak (370 nm). Transmission electron microscopy confirmed irregular particles with a spherical-like shape ranging from 25.13 to 36.21 nm. Numerous functional groups were detected on the surface of Zn-MnO nanocomposite via Fourier-transform infrared spectroscopy. X-Ray diffraction assay appeared that the synthesized Zn-MnO nanocomposites contained two different components, MnO (JCPDS 81-2261) and ZnO (JCPDS 36-1451), while energy dispersive X-ray spectra confirmed the occurrence of manganese, zinc, oxygen, and carbon in Zn-MnO nanocomposites. Zn-MnO nanocomposites demonstrated excellent suppress effect versus the growth of various bacteria namely Staphylococcus aureus, Methicillin-resistant S. aureus (MRSA), Salmonella typhi, and Klebsiella pneumoniae via agar well diffusion assays with inhibition areas of 36 ± 0.1, 25 ± 0.1, 27 ± 0.2, and 23 ± 0.2 mm, correspondingly. Alterations in the ultrastructure of the treated K. pneumoniae by Zn-MnO nanocomposite were recorded. Both the values of minimum inhibitory concentration (MIC) and minimum bactericidal concentration of Zn-MnO nanocomposite extended from 15.62 to 125 µg/mL employing the examined bacteria. The antibiofilm activity of Zn-MnO nanocomposites was 82.07, 75.43, 43.65, and 41.35% at 25% MIC, and 96.54, 93.0, 94.53, and 91.11% at 75% MIC against S. aureus, MRSA, K. pneumoniae, and S. typhi, respectively. At 25 to 75% MIC, Zn-MnO nanocomposites exhibited antihemolytic activity with the maximum activity of 96.3% at 75% MIC in the presence of MRSA. Extensive molecular docking studies were performed to identify the optimal location for manganese oxide and zinc oxide nanoclusters binding to MRSA. MnO-NPs and ZnO-NPs demonstrated inhibitory activity against the crystal structure of putative minohydrolase (PDB ID: 4EWT), methicillin acyl-penicillin binding protein 2a structure (PDB ID: 1MWU) and K2U bound crystal structure of class II peptide deformylase from MRSA (PDB ID: 6JFQ). The minimum binding energy was utilized to estimate the receptor’s binding site with NPs, providing additional understanding of the ways of action. Anti-inflammatory activity of Zn-MnO nanocomposites via cyclooxygenase-1 and cyclooxygenase-2 enzymes inhibition was documented with IC50 doses of 20.81 ± 0.68 µg/mL and 35.87 ± 1.35 µg/mL, respectively. Based on these outcomes, it was concluded that Zn-MnO nanocomposites could be useful agents for the management of multidrug resistant bacterial pathogens and inflammation. |
| format | Article |
| id | doaj-art-551e86b155474b8fa2308a8ad9e0a4cc |
| institution | Kabale University |
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| publishDate | 2025-01-01 |
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| spelling | doaj-art-551e86b155474b8fa2308a8ad9e0a4cc2025-01-19T12:21:05ZengNature PortfolioScientific Reports2045-23222025-01-0115111910.1038/s41598-024-85005-8Biosynthesis and activity of Zn-MnO nanocomposite in vitro with molecular docking studies against multidrug resistance bacteria and inflammatory activatorsSamy Selim0Tarek M. Abdelghany1Mohammed S. Almuhayawi2Mohammed K. Nagshabandi3Muyassar K. Tarabulsi4Mohammed Yagoub Mohammed Elamir5Asmaa A. Alharbi6Soad K. Al Jaouni7Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Jouf UniversityBotany and Microbiology Department, Faculty of Science, Al-Azhar UniversityDepartment of Clinical Microbiology and Immunology, Faculty of Medicine, King Abdulaziz UniversityDepartment of Basic Medical Sciences, College of Medicine, University of JeddahDepartment of Basic Medical Sciences, College of Medicine, University of JeddahDepartment of Clinical Laboratory Sciences, College of Applied Medical Sciences, Jouf UniversityDepartment of Biology, College of Science, Jazan UniversityDepartment of Hematology/Oncology, Yousef Abdulatif Jameel Scientific Chair of Prophetic Medicine Application, Faculty of Medicine, King Abdulaziz UniversityAbstract This study investigated the green synthesis of Zn-MnO nanocomposites via the fungus Penicillium rubens. Herein, the synthesized Zn-MnO nanocomposites were confirmed by UV-spectrophotometry with a top peak (370 nm). Transmission electron microscopy confirmed irregular particles with a spherical-like shape ranging from 25.13 to 36.21 nm. Numerous functional groups were detected on the surface of Zn-MnO nanocomposite via Fourier-transform infrared spectroscopy. X-Ray diffraction assay appeared that the synthesized Zn-MnO nanocomposites contained two different components, MnO (JCPDS 81-2261) and ZnO (JCPDS 36-1451), while energy dispersive X-ray spectra confirmed the occurrence of manganese, zinc, oxygen, and carbon in Zn-MnO nanocomposites. Zn-MnO nanocomposites demonstrated excellent suppress effect versus the growth of various bacteria namely Staphylococcus aureus, Methicillin-resistant S. aureus (MRSA), Salmonella typhi, and Klebsiella pneumoniae via agar well diffusion assays with inhibition areas of 36 ± 0.1, 25 ± 0.1, 27 ± 0.2, and 23 ± 0.2 mm, correspondingly. Alterations in the ultrastructure of the treated K. pneumoniae by Zn-MnO nanocomposite were recorded. Both the values of minimum inhibitory concentration (MIC) and minimum bactericidal concentration of Zn-MnO nanocomposite extended from 15.62 to 125 µg/mL employing the examined bacteria. The antibiofilm activity of Zn-MnO nanocomposites was 82.07, 75.43, 43.65, and 41.35% at 25% MIC, and 96.54, 93.0, 94.53, and 91.11% at 75% MIC against S. aureus, MRSA, K. pneumoniae, and S. typhi, respectively. At 25 to 75% MIC, Zn-MnO nanocomposites exhibited antihemolytic activity with the maximum activity of 96.3% at 75% MIC in the presence of MRSA. Extensive molecular docking studies were performed to identify the optimal location for manganese oxide and zinc oxide nanoclusters binding to MRSA. MnO-NPs and ZnO-NPs demonstrated inhibitory activity against the crystal structure of putative minohydrolase (PDB ID: 4EWT), methicillin acyl-penicillin binding protein 2a structure (PDB ID: 1MWU) and K2U bound crystal structure of class II peptide deformylase from MRSA (PDB ID: 6JFQ). The minimum binding energy was utilized to estimate the receptor’s binding site with NPs, providing additional understanding of the ways of action. Anti-inflammatory activity of Zn-MnO nanocomposites via cyclooxygenase-1 and cyclooxygenase-2 enzymes inhibition was documented with IC50 doses of 20.81 ± 0.68 µg/mL and 35.87 ± 1.35 µg/mL, respectively. Based on these outcomes, it was concluded that Zn-MnO nanocomposites could be useful agents for the management of multidrug resistant bacterial pathogens and inflammation.https://doi.org/10.1038/s41598-024-85005-8CyclooxygenaseZn-MnO, nanocompositeMolecular dockingBacterial pathogens |
| spellingShingle | Samy Selim Tarek M. Abdelghany Mohammed S. Almuhayawi Mohammed K. Nagshabandi Muyassar K. Tarabulsi Mohammed Yagoub Mohammed Elamir Asmaa A. Alharbi Soad K. Al Jaouni Biosynthesis and activity of Zn-MnO nanocomposite in vitro with molecular docking studies against multidrug resistance bacteria and inflammatory activators Scientific Reports Cyclooxygenase Zn-MnO, nanocomposite Molecular docking Bacterial pathogens |
| title | Biosynthesis and activity of Zn-MnO nanocomposite in vitro with molecular docking studies against multidrug resistance bacteria and inflammatory activators |
| title_full | Biosynthesis and activity of Zn-MnO nanocomposite in vitro with molecular docking studies against multidrug resistance bacteria and inflammatory activators |
| title_fullStr | Biosynthesis and activity of Zn-MnO nanocomposite in vitro with molecular docking studies against multidrug resistance bacteria and inflammatory activators |
| title_full_unstemmed | Biosynthesis and activity of Zn-MnO nanocomposite in vitro with molecular docking studies against multidrug resistance bacteria and inflammatory activators |
| title_short | Biosynthesis and activity of Zn-MnO nanocomposite in vitro with molecular docking studies against multidrug resistance bacteria and inflammatory activators |
| title_sort | biosynthesis and activity of zn mno nanocomposite in vitro with molecular docking studies against multidrug resistance bacteria and inflammatory activators |
| topic | Cyclooxygenase Zn-MnO, nanocomposite Molecular docking Bacterial pathogens |
| url | https://doi.org/10.1038/s41598-024-85005-8 |
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