Exploring the Effectiveness of Acyclovir against Ranaviral Thymidine Kinases: Molecular Docking and Experimental Validation in a Fish Cell Line
Abstract
:1. Introduction
2. Materials and Methods
2.1. In Silico Protein Modeling
2.2. Acyclovir Docking
2.3. Cells and Viruses
2.4. Acyclovir Solutions
2.5. Cytotoxicity Assay
2.6. In Vitro Assays for Acyclovir and Virus Interactions
2.7. Quantitative PCRs
2.8. Statistical Data Analysis
3. Results
3.1. Acyclovir Docking
3.2. Cytotoxicity Assays
3.3. In Vitro Assays
3.4. qPCRs
4. Discussion
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Reference | HSV-1 | IcHV-2 | ECV | FV3 | |||||
---|---|---|---|---|---|---|---|---|---|
Query | Identity % | Similarity % | Identity % | Similarity % | Identity % | Similarity % | Identity % | Similarity % | |
HSV-1 | 16.6 | 24.0 | 12.5 | 19.9 | 11.2 | 16.9 | |||
IcHV-2 | 16.1 | 22.4 | 21.5 | 37.2 | 21.1 | 36.4 | |||
ECV | 12.5 | 19.9 | 21.5 | 37.2 | 93.8 | 96.9 | |||
FV3 | 11.2 | 16.9 | 21.1 | 36.4 | 93.8 | 96.9 |
Glide Score | Glide Emodel/(kcal/mol) | Phosphorylation Feasibility | |
---|---|---|---|
HSV-1 kinase (2KI5) | −8.730 | −71.527 | Yes |
IcHV-2 kinase | −6.932 | −64.247 | Yes |
ECV kinase | −7.239 | −65.365 | Yes |
FV3 kinase | −7.299 | −65.376 | Yes |
Concentration of Acyclovir (µM) | Cell Viability ± SEM (%) |
---|---|
3200 | 103.373 ± 1.58 |
1600 | 94.35 ± 1.47 |
800 | 102.70 ± 1.41 |
400 | 110.17 ± 3.45 |
200 | 110.68 ± 2.27 |
100 | 104.99 ± 1.48 |
50 | 113.00 ± 1.92 |
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Rácz, R.; Gellért, Á.; Papp, T.; Doszpoly, A. Exploring the Effectiveness of Acyclovir against Ranaviral Thymidine Kinases: Molecular Docking and Experimental Validation in a Fish Cell Line. Life 2024, 14, 1050. https://doi.org/10.3390/life14091050
Rácz R, Gellért Á, Papp T, Doszpoly A. Exploring the Effectiveness of Acyclovir against Ranaviral Thymidine Kinases: Molecular Docking and Experimental Validation in a Fish Cell Line. Life. 2024; 14(9):1050. https://doi.org/10.3390/life14091050
Chicago/Turabian StyleRácz, Richárd, Ákos Gellért, Tibor Papp, and Andor Doszpoly. 2024. "Exploring the Effectiveness of Acyclovir against Ranaviral Thymidine Kinases: Molecular Docking and Experimental Validation in a Fish Cell Line" Life 14, no. 9: 1050. https://doi.org/10.3390/life14091050