Exploring Erythrina flavonoids as potential SARS-CoV-2 RdRp inhibitors through virtual screening, in silico ADMET evaluation, and molecular dynamics simulation studies

Exploring Erythrina flavonoids as potential SARS-CoV-2 RdRp inhibitors through virtual screening, in silico ADMET evaluation, and molecular dynamics simulation studies

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 ca...

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Bibliographic Details
Main Authors: Tati Herlina, Vicki Nishinarizki, Abd. Wahid Rizaldi Akili, Ari Hardianto, Shabarni Gaffar, Muchtaridi Muchtaridi, Jalifah Latip
Format: Article
Language:English
Published: Nature Portfolio 2025-04-01
Series:Scientific Reports
Subjects:
Flavonoids
Erythrina
RNA-dependent RNA polymerase (RdRp)
Structure-based bioinformatics
ADMET
Online Access:https://doi.org/10.1038/s41598-025-97311-w
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