Rosmarinic acid: Potential antiviral agent against dengue virus - In silico evaluation

R. Murugesan, K. Vasuki, S. Ramadevi, B. Kaleeswaran

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Intelligent Pharmacy ›› 2024, Vol. 2 ›› Issue (4) : 528-539. DOI: 10.1016/j.ipha.2023.12.006

Rosmarinic acid: Potential antiviral agent against dengue virus - In silico evaluation

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Abstract

A number of dengue viruses can seriously impact public health, and their spread has long been a concern. The development and administration of antiviral drugs have played a crucial role in combating viral infections in recent years. These drugs have shown that they can effectively inhibit viral replication and alleviate associated viral complications. The aim of this article is to provide an overview of current evidence on the effectiveness of administered antiviral drugs in controlling viral replication and treating viral problems. In the present study, the PyRx tool was used to docked proteins and ligands. In summary, the present study shows that rosmarinic acid has remarkable docking values against various dengue viral targets. Specifically, it shows a docking value of -8.0 for DENV1-E111, -8.1 for the RNA-dependent RNA polymerase (NS5), -8.2 for the non-structural A chain protein 1 (NS1), and -8.6 for the RNA helicase. These results suggest that rosmarinic acid may have an antiviral effect against the virus's target proteins. Further research is needed to investigate the therapeutic effects of rosmarinic acid in fighting viral infections. In addition, many enzymatic activities of rosmarinic acid have been reported by the PASS (Prediction of Activity Spectra for Substances) tool. The present investigation led to the definitive conclusion that rosmarinic acid possesses remarkable antiviral properties. The present study is promising for future applications, particularly in the search for a drug molecule that can effectively combat a variety of viral infections.

Keywords

Antiviral / Dengue / Pharmacophore / Rosmarinic acid / Toxicity

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R. Murugesan, K. Vasuki, S. Ramadevi, B. Kaleeswaran. Rosmarinic acid: Potential antiviral agent against dengue virus - In silico evaluation. Intelligent Pharmacy, 2024, 2(4): 528‒539 https://doi.org/10.1016/j.ipha.2023.12.006

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