Ligand-controlled growth and stabilization of doped ZnO2 nanoparticles for dual antibacterial and enzyme inhibition

ULLAH I, Neder R, Parwaz H, Kamal Z, Zhan CH, Qazi K, ud Din I, Pokhrel H (2025)

Publication Type: Journal article

Publication year: 2025

Journal

Scientific Reports Nature Publishing Group: Open Access Journals - Option B

Book Volume: 15

Article Number: 29994

Journal Issue: 1

DOI: 10.1038/s41598-025-15917-6

Abstract

Maintaining structural stability in multifunctional nanoparticles (NPs) remain a challenge in nanomedicine. To address this limitation, organic ligand-capped pristine and doped zinc peroxide (ZnO2) NPs were synthesized via co-precipitation method for enhanced antibacterial efficacy against Gram-positive bacteria (methicillin-resistant Staphylococcus aureus (MRSA) and Bacillus cereus (BC)), and inhibition of the acetylcholinesterase enzyme (AChE). The synthesized samples were characterized using complementary characterization techniques. In-situ studies confirmed citrate (cit) molecules slow down the nucleation kinetics, while manganese (Mn) and cobalt (Co) doping reduces the optical bandgap from 3.07 eV to 2.89 eV, and 2.79 eV, respectively. Critically, ligand engineering and doping substantially improved bioactivity. ZnO2 NPs exhibited dose-dependent antimicrobial activities, with 7.7 ± 0.9 mm and 8.6 ± 0.9 mm zones of inhibition (ZOIs) at 1000 µg/ml concentration against MRSA and BC, respectively. Incorporation of 3% Mn into the ZnO2 lattice improved the ZOIs to 8.9 ± 1.7 mm against MRSA and 11 ± 1.9 mm against BC at 1000 µg/ml concentration. Notably, 5% Co-doped with cit capping exhibits the ZOIs of 12.5 ± 2.0 mm against MRSA and 6.4 ± 1.5 mm BC at 1000 µg/ml. 3% Mn-doped ZnO2 NPs with dmlt as capping agent showed ZOIs of 10.3 ± 1.7 mm against MRSA and 12.3 ± 1.9 mm against BC at 1000 µg/ml concentration. Furthermore, the anti-acetylcholinesterase enzyme (AChE) activities of the synthesized NPs were assessed. At 125 µg/ml concentration, cit-capped ZnO2 NPs inhibits 75.5 ± 0.1% of AChE activity. 3% Mn-doped ZnO2 NPs show the inhibition of 73.2 ± 0.2% AChE, enhancing to 82 ± 0.3% upon pent capping. In contrast, 3% Co-doped ZnO2 NPs and dmlt-capped 5% Co-doped ZnO2 NPs exhibit modest AChE inhibition, with values of 62.4 ± 0.3% and 54.5 ± 0.2%, respectively. Molecular docking studies suggested moderate interaction of ZnO2 NPs with phenol-soluble modulins alpha2 (PSMα2), strong interaction with Phospholipase C Regulator (PlcR), and moderate interaction with 1EEA (acetylcholinesterase from Electrophorus electricus (electric eel)). This study introduced a novel approach utilizing highly stabilized ZnO2 NPs as potent antimicrobial agents and acetylcholinesterase inhibitors.

Authors with CRIS profile

IMRAN ULLAH Professur für Kristallographie und Strukturphysik Reinhard Neder Professur für Allgemeine Mineralogie/Kristallographie Hari Pokhrel Chair of Applied Physics (LAP)

Involved external institutions

Chongqing Medical University CN China (CN) Zhejiang Normal University (ZJNU) / 浙江师范大学 CN China (CN) University of Science and Technology Bannu (USTB) PK Pakistan (PK) University of Peshawar PK Pakistan (PK)

How to cite

APA:

ULLAH, I., Neder, R., Parwaz, H., Kamal, Z., Zhan, C.H., Qazi, K.,... Pokhrel, H. (2025). Ligand-controlled growth and stabilization of doped ZnO2 nanoparticles for dual antibacterial and enzyme inhibition. Scientific Reports, 15(1). https://doi.org/10.1038/s41598-025-15917-6

MLA:

ULLAH, IMRAN, et al. "Ligand-controlled growth and stabilization of doped ZnO2 nanoparticles for dual antibacterial and enzyme inhibition." Scientific Reports 15.1 (2025).

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