Rosmarinic acid shows strong potential as antiviral agent against dengue virus in computational study

In a comprehensive review published in LabMed Discovery, researchers Sugumar Sujitha and Rengarajan Murugesan explore the antiviral potential of rosmarinic acid (RA) against dengue virus (DENV) using computational (in silico) methods. Dengue fever remains a major global health challenge, infecting approximately 400 million people annually, with no specific antiviral treatment currently available. The study evaluates RA—a naturally occurring polyphenol found in herbs like rosemary and lemon balm—due to its known antiviral, anti-inflammatory, and low-toxicity properties.

The researchers employed molecular docking and dynamics simulations to assess how RA interacts with key dengue viral proteins, including envelope protein E, NS1, NS3 protease, RNA helicase, and NS5 RNA-dependent RNA polymerase. RA demonstrated strong binding affinity to these proteins, suggesting it could interfere with critical viral processes such as entry, replication, and maturation. Notably, RA achieved docking scores of up to –10.0 kcal/mol, indicating stable and energetically favorable interactions.

The study also compared RA to other known antiviral phytochemicals, showing that RA consistently ranked high in terms of binding efficiency and multi-target activity. Additionally, predictive models of pharmacokinetics and drug-likeness support RA’s viability for further drug development. Despite these promising computational results, the authors emphasize the need for thorough experimental validation through in vitro and in vivo studies to confirm RA’s therapeutic potential, optimize its delivery, and assess its safety profile.

In conclusion, this review highlights RA as a strong candidate for future antiviral drug development against dengue virus. It offers a foundational framework for further investigation that could contribute to the urgent global effort to develop effective, low-cost, and plant-based antiviral therapies.