Metabolic Screening and In Silico Investigation of Eucalyptus globulus Essential Oil Bioactives Against DENV‐2 Envelope Protein
4 affiliations
- 1Faculty of Agricultural Engineering & Technology PMAS Arid Agriculture University Rawalpindi Pakistan
- 2Department of Botany Arid Agriculture University Rawalpindi Pakistan
- 3Department of Entomology PMAS‐Arid Agriculture University Rawalpindi Pakistan
- 4Botany Department Faculty of Biology Kabul University Kabul Afghanistan
Abstract
The escalating prevalence of viral infectious diseases poses a significant threat to global public health. Among these, dengue virus (DENV) represents one of the most widespread arboviral infections, impacting nearly 400 million individuals annually, with severe clinical manifestations occurring in approximately 1% of cases, as reported by the World Health Organization (WHO). Extensive research across both academic and industrial sectors has focused on various aspects of DENV, including its molecular virology, epidemiological patterns, transmission pathways, and therapeutic targets. The development of the tetravalent CYD‐TDV (Dengvaxia) vaccine marked a critical advancement in dengue prevention. Nonetheless, emerging evidence has highlighted several limitations associated with current vaccination strategies, prompting a growing emphasis on the discovery and development of antiviral agents as alternative or complementary therapeutic options for effective dengue management. A total of 14 major bioactive compounds were found to be highly correlated with Dengue, yielding 70 common targets between dengue and bioactive compounds. Protein–protein interaction and network pathway analysis by KEGG and Metascape analysis show higher degree of correlation for DENV‐2 targets. Molecular docking analysis shows that Globulol and Ecalyptol have higher binding affinity with two receptors, 1oke and 1tg8 f DENV‐2, with binding energies of −8.3 and −7.6. Toxicity and drug‐likeness analyses confirmed the safety of the metabolites for drug development. These findings suggest that Eucalyptus globulus essential oil may have potential in the treatment of dengue fever. However, further in vivo studies using animal models are required to validate its therapeutic efficacy.
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BibTeX
@article{afzal2026metabolic,
title = {{Metabolic Screening and In Silico Investigation of Eucalyptus globulus Essential Oil Bioactives Against DENV‐2 Envelope Protein}},
author = {Arslan Afzal and Ilyas Ahmad and Mahadullah and Saliha Qamar and Tayyaba Yousaf and Faiz Ullah and Dilawar Khan and Mohammad Hamid Hamdard and Zia ur Rehman Mashwani},
journal = {ChemistryOpen},
year = {2026},
month = oct,
doi = {10.1002/open.70307},
url = {https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/open.70307},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - Metabolic Screening and In Silico Investigation of Eucalyptus globulus Essential Oil Bioactives Against DENV‐2 Envelope Protein
AU - Arslan Afzal
AU - Ilyas Ahmad
AU - Mahadullah
AU - Saliha Qamar
AU - Tayyaba Yousaf
AU - Faiz Ullah
AU - Dilawar Khan
AU - Mohammad Hamid Hamdard
AU - Zia ur Rehman Mashwani
PY - 2026
DA - 2026/10/25
JO - ChemistryOpen
DO - 10.1002/open.70307
UR - https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/open.70307
AB - The escalating prevalence of viral infectious diseases poses a significant threat to global public health. Among these, dengue virus (DENV) represents one of the most widespread arboviral infections, impacting nearly 400 million individuals annually, with severe clinical manifestations occurring in approximately 1% of cases, as reported by the World Health Organization (WHO). Extensive research across both academic and industrial sectors has focused on various aspects of DENV, including its molecular virology, epidemiological patterns, transmission pathways, and therapeutic targets. The development of the tetravalent CYD‐TDV (Dengvaxia) vaccine marked a critical advancement in dengue prevention. Nonetheless, emerging evidence has highlighted several limitations associated with current vaccination strategies, prompting a growing emphasis on the discovery and development of antiviral agents as alternative or complementary therapeutic options for effective dengue management. A total of 14 major bioactive compounds were found to be highly correlated with Dengue, yielding 70 common targets between dengue and bioactive compounds. Protein–protein interaction and network pathway analysis by KEGG and Metascape analysis show higher degree of correlation for DENV‐2 targets. Molecular docking analysis shows that Globulol and Ecalyptol have higher binding affinity with two receptors, 1oke and 1tg8 f DENV‐2, with binding energies of −8.3 and −7.6. Toxicity and drug‐likeness analyses confirmed the safety of the metabolites for drug development. These findings suggest that Eucalyptus globulus essential oil may have potential in the treatment of dengue fever. However, further in vivo studies using animal models are required to validate its therapeutic efficacy.
SN - 2191-1363
SN - 2191-1363
ER -