Ag-Decorated Hydrogen Molybdenum Bronze Nanotubes as Dual-Action Agents Against Bacillus subtilis: Experimental and Theoretical Insights Into Membrane Damage and Protein Interference
Yavari S. Eghtesadi N. Olaifa K. Shafiee D. Montazer A.H. Rasuli R. Nemati-Kande E. Pakzadi F. Faramarzi S. Shafiee M.
2026John Wiley and Sons Ltd
Bioinorganic Chemistry and Applications
2026#2026Issue 1
Bacterial biofilms are a persistent challenge in industrial settings such as water treatment and food processing, contributing to antimicrobial resistance, operational inefficiencies, and environmental burden. Here, we report on the synthesis and multiscale evaluation of hydrogen molybdenum bronze nanosheets (HMB-NSHs) and their silver-decorated nanotube derivatives (Ag–decorated HMB-NTs), produced via an arc discharge method. High-resolution structural analyses revealed crystalline, ultrathin HMB sheets and tubular architectures adorned with uniformly distributed Ag nanoparticles (∼3–5 nm). While HMB-NSHs were biologically inert, Ag–decorated HMB-NTs demonstrated potent antibacterial effects against Bacillus subtilis, inhibiting planktonic growth (75.7%), biofilm formation (77.7%), and biofilm eradication (64.3%) at 25 μg/mL. Complementary SEM and fluorescence microscopy visualizations revealed pronounced morphological membrane damage such as wrinkling, roughening, and biofilm reduction signatures absent in control and HMB-treated samples, facilitating metal ion deposition and localized oxidative stress. At the molecular level, multiscale computational modeling, including molecular docking, DFT, QTAIM, RDG, and IGM analyses, provided atomic-resolution insights into dual-site antibacterial action. The Ag and HMB moieties interact favorably with both the cell-wall penicillin-binding protein (PDB ID: 4WO7) and intracellular division regulator FtsZ (PDB ID: 2VAM), forming energetically stable complexes. QTAIM metrics confirmed extensive van der Waals and hydrogen bonding networks with 4WO7, whereas RDG and IGM surfaces visualized dense noncovalent contact regions. Ag–FtsZ interactions, though weaker, suggest possible disruption of cell cycle machinery upon internalization. These findings establish Ag-decorated HMB-NTs as a dual-function nanomaterial: HMB scaffolds promote surface adhesion and stability, whereas Ag enables membrane destabilization and intracellular disruption. Together, these processes highlight membrane damage and protein interference as the primary antibacterial mechanisms, underscoring their potential as a next-generation antibacterial platform, particularly against biofilm-forming and industrially relevant bacteria such as Bacillus subtilis. Copyright
antibacterial , Bacillus subtilis , biofilms , hydrogen molybdenum bronze , nanotubes , silver NPs
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Department of Electrical and Computer Engineering, School of Engineering and Digital Sciences, Nazarbayev University, Astana, 010000, Kazakhstan
Energetic Cosmos Laboratory, Nazarbayev University, Astana, 010000, Kazakhstan
Department of Physics, Faculty of Science, University of Zanjan, Zanjan, Iran
Biofilm Laboratory, Department of Chemical and Materials Engineering, School of Engineering and Digital Sciences, Nazarbayev University, Astana, 010000, Kazakhstan
Department of Biology, Nazarbayev Intellectual School of Biology and Chemistry, Aktau, 130000, Kazakhstan
Department of Biomedical Sciences, School of Medicine, Nazarbayev University, Astana, 010000, Kazakhstan
Department of Medical Equipment Technology Engineering, Al-Hadba University, Mosul, Iraq
Department of Physical Chemistry, Faculty of Chemistry, Urmia University, Urmia, 5756151818, Iran
Research Center for Computational and Theoretical Molecular Engineering (RC2TME), Khazar University, Baku, 1009, Azerbaijan
Department of Biology, Faculty of Science, Urmia University, Urmia, 5756151818, Iran
Department of Electrical and Computer Engineering
Energetic Cosmos Laboratory
Department of Physics
Biofilm Laboratory
Department of Biology
Department of Biomedical Sciences
Department of Medical Equipment Technology Engineering
Department of Physical Chemistry
Research Center for Computational and Theoretical Molecular Engineering (RC2TME)
Department of Biology
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