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Prodigiosin Demonstrates Promising Antiviral Activity against Dengue Virus and Zika Virus in In-Silico Analysis
Cite as:Tanjilur Rahman, Mohammed Sajjad Hossain Bappi,Tanim Jabid Hossain (2024) Prodigiosin Demonstrates Promising Antiviral Activity against Dengue Virus (DENV) and Zika Virus (ZIKV) in In-Silico Analysis, Preprint, www.researchgate.net/publication/382066431
Article Type: Research Article
Published version: N/A
RESEARCH PAPER
Research area: Computational Biology, Bioinformatics, Pharmacology
Authors: Tanjilur Rahman, Mohammed Sajjad Hossain Bappi,Tanim Jabid Hossain
Dengue virus (DENV) and Zika virus (ZIKV), members of the Flaviviridae family transmitted by Aedes mosquitoes, continue to pose significant global public health challenges. Despite extensive research, effective treatments for these viruses remain elusive, highlighting the urgent need for new and efficient antiviral therapies. This study explores prodigiosin, a microbial tripyrrole pigment, as a potential antiviral agent against DENV and ZIKV through comprehensive computational analyses. Prodigiosin exhibited favorable drug-likeness properties, meeting Lipinski's rule of five and demonstrating optimal physicochemical and pharmacokinetic characteristics according to Ghose's, Veber's, Egan’s and Muegge's filters, essential for oral bioavailability. ADMET profiling further revealed high intestinal absorption, minimal risk for drug-drug interactions, and a low toxicity profile, with no observed AMES toxicity, hepatotoxicity, or skin sensitization. Molecular docking studies showed prodigiosin’s strong binding affinities to the NS5 methyltransferases of both viruses, suggesting disruption of the viral replication process. Notably, prodigiosin's binding affinities were comparable to those of chloroquine and ribavirin 5'-triphosphate, known inhibitors of ZIKV and DENV, respectively. Molecular dynamics simulations further supported these findings, demonstrating stable and specific interactions between prodigiosin and NS5 MTases, with low root mean square deviation values. Additional analyses, including root mean square fluctuation, radius of gyration, and solvent-accessible surface area, confirmed the compactness and stability of the complexes. These promising results suggest that prodigiosin could serve as a broad-spectrum antiviral agent, warranting further experimental validation and continued investigation for therapeutic development against flaviviral infections.
Keywords: Prodigiosin, Antiviral drug development, Dengue virus, Zika virus, Flavivirus inhibitor, NS5 methyltransferase, Molecular docking, Molecular dynamics simulation, In-silico drug discovery, Drug-likeliness properties.
Cite: Tanjilur Rahman, Mohammed Sajjad Hossain Bappi,Tanim Jabid Hossain (2024) Prodigiosin Demonstrates Promising Antiviral Activity against Dengue Virus and Zika Virus in In-Silico Analysis, Preprint, www.researchgate.net/publication/382066431
Preprint at Researchgate: https://www.researchgate.net/publication/382066431
Published version: This is a preprint version. Link to published version will be shared following peer-review and publication in a journal.
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MLA style: Rahman, Tanjilur, et al. “Prodigiosin Demonstrates Promising Antiviral Activity against Dengue Virus and Zika Virus in In-Silico Analysis.” Preprint, 2024, https://www.researchgate.net/publication/382066431.
APA style: Rahman, T., Bappi, M. S. H., & Hossain, T. J. (2024). Prodigiosin Demonstrates Promising Antiviral Activity against Dengue Virus and Zika Virus in In-Silico Analysis. Preprint. https://www.researchgate.net/publication/382066431
Chicago style: Rahman, Tanjilur, Mohammed Sajjad Hossain Bappi, and Tanim Jabid Hossain. 2024. “Prodigiosin Demonstrates Promising Antiviral Activity against Dengue Virus and Zika Virus in In-Silico Analysis.” Preprint. https://www.researchgate.net/publication/382066431.
Harvard style: Rahman, T. et al. (2024) Prodigiosin Demonstrates Promising Antiviral Activity against Dengue Virus and Zika Virus in In-Silico Analysis. Preprint. [online]. Available from: https://www.researchgate.net/publication/382066431.
Vancouver style: Rahman T, Bappi MSH, Hossain TJ. Prodigiosin Demonstrates Promising Antiviral Activity against Dengue Virus and Zika Virus in In-Silico Analysis. Preprint [Internet]. 2024; Available from: https://www.researchgate.net/publication/382066431
