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2000
Volume 23, Issue 5
  • ISSN: 2211-3525
  • E-ISSN: 2211-3533

Abstract

Introduction

Sesquiterpene coumarins are a unique class of natural compounds with a wide range of biological activities. These C15 terpenes are connected by ether or carbon-carbon bonds to coumarin derivatives. Sesquiterpene coumarins that include a 7-hydroxylcoumarin (umbelliferone) moiety have significant antiviral properties. The natural flexibility of these compounds reduces the likelihood of developing resistance, which is often seen in viruses due to high mutation rates.

Objective

The lessons learned from the coronavirus pandemic experience emphasize the importance of preparedness for future viral outbreaks in the medical community. Consequently, fast and reliable assessment methods, such as techniques, are crucial in drug discovery.

Methods

In this study, we used studies to evaluate the potential antiviral effects of various sesquiterpene coumarins.

Results

The binding free energy to the spike protein of SARS-CoV-2 suggested that 5′-hydroxyumbelliprenin (), conferol (), 8′-acetoxy-5′-hydroxyumbelliprenin (), and Sanandajine () could be promising antiviral candidates.

Conclusion

These compounds have unique physicochemical characteristics and occupy distinct chemical spaces compared to synthetic libraries; therefore, the criteria for drug-likeness need to be adjusted for this series of compounds.

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2025-10-30

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Sesquiterpene Coumarins as Promising Antiviral Agents: An In-silico Study
Anti Infect. Agents 23, E22113525360098 (2025); https://doi.org/10.2174/0122113525360098241219094701
/content/journals/aia/10.2174/0122113525360098241219094701
/content/journals/aia/10.2174/0122113525360098241219094701
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  • Article Type:     Research Article
Keyword(s): Antivirus; COVID-19; molecular docking; molecular dynamics simulation; sesquiterpene coumarins; spike protein

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