Syzygium aromaticum Phytoconstituents Target SARS-CoV-2: Integrating Molecular Docking, Dynamics, Pharmacokinetics, and miR-21 rs1292037 Genotyping

The bioactive constituents of <i>Syzygium aromaticum</i> exhibit strong potential as multi-target antivirals, with molecular simulations highlighting caryophyllene's particularly stable interaction with the 7Z4S protein. Methyl eugenol also maintained consistent binding across several SARS-CoV-2 targets. Additionally, the miR-21 rs1292037 polymorphism may influence COVID-19 severity through its role in inflammatory regulation. Together, these results support the combined application of phytochemicals and genetic insights in antiviral research, pending further clinical verification.

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Publication Details

Journal
Viruses
Published
2025-07-05
DOI
https://doi.org/10.3390/v17070951
Citations
2
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
3.01
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article

Syzygium aromaticum Phytoconstituents Target SARS-CoV-2: Integrating Molecular Docking, Dynamics, Pharmacokinetics, and miR-21 rs1292037 Genotyping

Safaa Abed Latef Al Meani, Faiza Safi, Mohammed Salih Al-Janaby, Mustafa Ahmed Muhmood
2 citations
Viruses
Computational Drug Discovery Methods
3.01
article

Syzygium aromaticum Phytoconstituents Target SARS-CoV-2: Integrating Molecular Docking, Dynamics, Pharmacokinetics, and miR-21 rs1292037 Genotyping

Safaa Abed Latef Al Meani, Faiza Safi, Mohammed Salih Al-Janaby, Mustafa Ahmed Muhmood
article en
2 citations

Abstract

The bioactive constituents of <i>Syzygium aromaticum</i> exhibit strong potential as multi-target antivirals, with molecular simulations highlighting caryophyllene's particularly stable interaction with the 7Z4S protein. Methyl eugenol also maintained consistent binding across several SARS-CoV-2 targets. Additionally, the miR-21 rs1292037 polymorphism may influence COVID-19 severity through its role in inflammatory regulation. Together, these results support the combined application of phytochemicals and genetic insights in antiviral research, pending further clinical verification.

VirusesVol. 17(7)
University of Sfax (TN), University of Anbar (IQ), University of Al Maarif (IQ), Hopital Universitaire Hedi Chaker (TN)
Good health and well-being
Openalex Percentile: Top 8%
Computational Drug Discovery Methods
3.01
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