ArticleScientific reports2025
Exploring Erythrina flavonoids as potential SARS-CoV-2 RdRp inhibitors through virtual screening, in silico ADMET evaluation, and molecular dynamics simulation studies.
Article in Scientific reports, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Identification of α-glucosidase inhibitory phytochemicals from Erythrina crista-galli using combined experimental and computational methods.BMC chemistry · 2026Article
- Evaluation of the Antimalarial Potential of a Combination ofJournal of parasitology research · 2026Article
- Chemico-biological evaluation of carpachromene against key antimicrobial protein targets: an integratedFrontiers in pharmacology · 2026Article
- Therapeutic Potential of Erythrina Genus: Bioactive Phytoconstituents with Potent Antiviral and Antimicrobial Activities.Plants (Basel, Switzerland) · 2025Review
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7 authors.
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Abstract
The COVID-19 pandemic, caused by SARS-CoV-2, has intensified the search for effective antiviral agents. This study investigates the inhibitory potential of 473 flavonoids from the genus Erythrina against the key enzyme of SARS-CoV-2, RNA-dependent RNA polymerase (RdRp). Virtual screening campaign using molecular docking identified 128 flavonoids with stronger binding energies to RdRp than remdesivir, a WHO-endorsed drug. Lipinski's Rule of Five and ADMET profiling suggested butein (119) as the promising RdRp inhibitor. Moreover, molecular dynamics simulations revealed that 119 binds effectively to RdRp and interacts with the RNA template and primer, suggesting a multi-faceted inhibitory mechanism. Our findings highlight the potential of Erythrina-derived flavonoids, particularly compound 119, as potent RdRp inhibitors, warranting further experimental studies.
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