“Universal” Antimicrobial Combination of Bacitracin and His6-OPH with Lactonase Activity, Acting against Various Bacterial and Yeast Cells
Abstract
:1. Introduction
2. Results
2.1. Computational Modeling of His6-OPH/Bacitracin Interactions
2.2. Catalytic and Physical-Chemical Characteristics of His6-OPH in the Absence and Presence of Bacitracin
2.3. Antimicrobial Activity of Bacitracin alone or in Combination with His6-OPH
2.4. In Silico Estimation of Possible Hydrolysis Catalyzed by His6-OPH of Lactone-Containing Molecules Synthesyzed by Fungous (Including Yeast) Cells
3. Discussion
4. Materials and Methods
4.1. Computational Methods
4.2. Enzyme Preparation and Determination of Its Activity
4.3. Determination of Antimicrobial Effect of Bacitracin and Its Combination with His6-OPH
5. 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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pH | Net Charge | Affinity (kJ/mol) | Area (%) | ||||
---|---|---|---|---|---|---|---|
Mean | Median | Upper (Lower) Bounds | p Value | Near Active Sites | Total | ||
7.5 | −3.8 | −24.1 | −24.3 ± 1.2 | −23.0 (−25.0) | <0.001 | 0.1 | 11.4 |
10.5 | −7.4 | −27.6 | −27.2 ± 1.2 | −26.8 (−28.3) | 0.1 | 14.2 |
Enzyme or Complex | Km (μM) | Vmax/E0 (1/s) | Vmax/(E0 × Km) (1 × 106/(M × s) |
---|---|---|---|
His6-OPH | 10.5 ± 2.2 | 5040 ± 340 | 480 ± 154 |
His6–OPH/Bacitracin | 15.1 ± 3.3 | 6632 ± 856 | 449 ± 217 |
Microorganism | w/o His6-OPH | with His6-OPH | Decrease of IC50 Due to the Use of His6-OPH/Bacitracin Compared to the Bacitracin Alone (Times) |
---|---|---|---|
Bacterial cells | |||
Escherichia coli (G(−)) ** | 1.94 ± 0.12 | 1.56 ± 0.18 | 1.3 |
Pseudomonas sp. (G(−)) | 52.23 ± 3.01 | 16.5 ± 1.46 | 3.2 |
Agrobacterium sp. (G(−)) | 21.19 ± 0.22 | 6.41 ± 0.21 | 3.3 |
Rhodococcus sp. (G(+)) | 3.05 ± 0.28 | 3.5 ± 0.31 | 0.9 |
Bacillus subtilis (G(+)) | 0.11 ± 0.01 | 0.11 ± 0.01 | 1 |
Yeast cells | |||
Candida sp. | 17.83 ± 2.41 | 14.83 ± 1.51 | 1.2 |
Saccharomyces cerevisiae | 14.52 ± 1.4 | 9.85 ± 0.61 | 1.5 |
Cryptococcus albidus | 2.8 ± 0.15 | 2.89 ± 0.15 | 1 |
Pachysolen tannophilus | 14.92 ± 1.01 | 1.75 ± 0.21 | 8.5 |
Kluyveromyces marxianus | 10.21 ± 0.71 | 2.6 ± 0.16 | 3.9 |
Torulopsis spp. | 31.47 ± 2.04 | 5.76 ± 0.05 | 5.5 |
Trichosporon beigelii | 15.65 ± 0.75 | 3.98 ± 0.06 | 3.9 |
Lactones | His6-OPH without Bacitracin | His6-OPH with Bacitracin | ||||
---|---|---|---|---|---|---|
Area, % | Affinity, (kJ/mol) | Area, % | Affinity, (kJ/mol) | |||
Near Active Site | Total | Median | Near Active Site | Total | Median | |
γ-butyrolactone | 1.1 | 3 | −16.3 ± 0.8 | 1 | 3.7 | −16.1 ± 0.9 |
γ-heptalactone | 0.8 | 3.1 | −20.7 ± 1.3 | 0.6 | 3.5 | −20.7 ± 2.0 |
γ-decalactone | 0.6 | 4.9 | −21.1 ± 1.6 | 0.4 | 3.3 | −22.0 ± 1.5 |
Gluconolactone | 0.1 | 6 | −24.1 ± 0.8 | 0.1 | 4.6 | −23.2 ± 1.2 |
Butyrolactone I | 0.2 | 9.3 | −30.3 ± 1.4 | 0.1 | 9.1 | −29.5 ± 1.6 |
Multicolanic acid | 0.6 | 6.6 | −22.6 ± 1.5 | 0.1 | 4.8 | −21.7 ± 1.3 |
Multicolosic acid | 0.1 | 14.9 | −21.3 ± 2.1 | 0.1 | 7.8 | −20.7 ± 1.7 |
Multicolic acid | 0.1 | 6.9 | −23.6 ± 1.2 | 0.3 | 5.9 | −22.2 ± 0.5 |
Enzyme; [Reference] | Peptide | * Interaction with the Active Site Residues | Effect on Catalytic Activity |
---|---|---|---|
Guanosine triphosphatase (GTPase) FtsZ; [22] | Temporin L | + | competitive inhibition |
Cathepsin L (CatL); [23] | LL-37 | + | competitive inhibition |
Myeloperoxidase (MPO); [24] | Antioxidative peptide TEFHLL | + | inhibition |
Angiotensin I-converting enzyme (ACE); [25] | Antihypertensive peptide FHAPWK | + | competitive inhibition |
DNA gyrase and Lanosterol 14-alpha demethylase; [26] | Cyclo (Thr-Arg-Pro-D-Val-Leu) | + | competitive inhibition |
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Aslanli, A.; Domnin, M.; Stepanov, N.; Efremenko, E. “Universal” Antimicrobial Combination of Bacitracin and His6-OPH with Lactonase Activity, Acting against Various Bacterial and Yeast Cells. Int. J. Mol. Sci. 2022, 23, 9400. https://doi.org/10.3390/ijms23169400
Aslanli A, Domnin M, Stepanov N, Efremenko E. “Universal” Antimicrobial Combination of Bacitracin and His6-OPH with Lactonase Activity, Acting against Various Bacterial and Yeast Cells. International Journal of Molecular Sciences. 2022; 23(16):9400. https://doi.org/10.3390/ijms23169400
Chicago/Turabian StyleAslanli, Aysel, Maksim Domnin, Nikolay Stepanov, and Elena Efremenko. 2022. "“Universal” Antimicrobial Combination of Bacitracin and His6-OPH with Lactonase Activity, Acting against Various Bacterial and Yeast Cells" International Journal of Molecular Sciences 23, no. 16: 9400. https://doi.org/10.3390/ijms23169400