Targeting N-Acetylglucosaminidase in Staphylococcus aureus with Iminosugar Inhibitors
Abstract
:1. Introduction
2. Results and Discussion
2.1. Iminosugar Dataset
2.2. Molecular Docking Calculations
2.3. In Silico Physicochemical and Toxicity Assessment
2.4. Surface Plasmon Resonance (SPR) Analysis
2.5. Minimal Inhibitory Concentration (MIC)
3. Materials and Methods
3.1. Dataset
3.2. Molecular Docking Calculations
3.3. In Silico Physicochemical and Toxicity Assessment
3.4. Surface Plasmon Resonance (SPR) Analysis
3.5. Minimal Inhibitory Concentration (MIC)
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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ID | Structure | X | Goldscore Fitness | KD (µM) |
---|---|---|---|---|
1 (14 d [30]) | C14 | 52.1 | 19 | |
2 (14 e [30]) | CH2CON(C10)2 | 51.1 | LR | |
3 (14 b [31]) | C10 | 44.5 | 410 | |
4 (14 c [31]) | C12 | 51.3 | LR | |
5 (14 d [31]) | C14 | 42.4 | LR | |
6 (14 e [31]) | CH2CON(C10)2 | 52.8 | LR | |
7 (17 a [31]) | C8 | 38.7 | >1000 | |
8 (17 b [31]) | C10 | 46.7 | 88 | |
9 (17 c [31]) | C12 | 46.7 | >1000 | |
10 (17 d [31]) | C14 | 47.5 | >1000 | |
11 (10 [32]) | C4 | 44.1 | >1000 |
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Sluga, J.; Tomašič, T.; Anderluh, M.; Rambaher, M.H.; Bajc, G.; Sevšek, A.; Martin, N.I.; Pieters, R.J.; Novič, M.; Venko, K. Targeting N-Acetylglucosaminidase in Staphylococcus aureus with Iminosugar Inhibitors. Antibiotics 2024, 13, 751. https://doi.org/10.3390/antibiotics13080751
Sluga J, Tomašič T, Anderluh M, Rambaher MH, Bajc G, Sevšek A, Martin NI, Pieters RJ, Novič M, Venko K. Targeting N-Acetylglucosaminidase in Staphylococcus aureus with Iminosugar Inhibitors. Antibiotics. 2024; 13(8):751. https://doi.org/10.3390/antibiotics13080751
Chicago/Turabian StyleSluga, Janja, Tihomir Tomašič, Marko Anderluh, Martina Hrast Rambaher, Gregor Bajc, Alen Sevšek, Nathaniel I. Martin, Roland J. Pieters, Marjana Novič, and Katja Venko. 2024. "Targeting N-Acetylglucosaminidase in Staphylococcus aureus with Iminosugar Inhibitors" Antibiotics 13, no. 8: 751. https://doi.org/10.3390/antibiotics13080751